(1R,5R)-N,N-dimethyl-6-[(1-propylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide

C16H29N5O2S — CID 70727344

IUPAC(1R,5R)-N,N-dimethyl-6-[(1-propylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
SMILESCCCn1ccnc1CN1C[C@H]2CC[C@@H]1CN(S(=O)(=O)N(C)C)C2
InChIInChI=1S/C16H29N5O2S/c1-4-8-19-9-7-17-16(19)13-20-10-14-5-6-15(20)12-21(11-14)24(22,23)18(2)3/h7,9,14-15H,4-6,8,10-13H2,1-3H3/t14-,15-/m1/s1
InChIKeyJPTGCUUNDMEJFS-HUUCEWRRSA-N
MW355.51 g/mol
LogP1.00
Rot. Bonds6

About (1R,5R)-N,N-dimethyl-6-[(1-propylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide

(1R,5R)-N,N-dimethyl-6-[(1-propylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide (PubChem CID 70727344) has the molecular formula C16H29N5O2S and a molecular weight of 355.51 g/mol. Its IUPAC name is (1R,5R)-N,N-dimethyl-6-[(1-propylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide.

Molecular Properties

Compound Name(1R,5R)-N,N-dimethyl-6-[(1-propylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
PubChem CID70727344
Molecular FormulaC16H29N5O2S
Molecular Weight355.51 g/mol
Exact Mass355.20
IUPAC Name(1R,5R)-N,N-dimethyl-6-[(1-propylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
SMILESCCCn1ccnc1CN1C[C@H]2CC[C@@H]1CN(S(=O)(=O)N(C)C)C2
InChIInChI=1S/C16H29N5O2S/c1-4-8-19-9-7-17-16(19)13-20-10-14-5-6-15(20)12-21(11-14)24(22,23)18(2)3/h7,9,14-15H,4-6,8,10-13H2,1-3H3/t14-,15-/m1/s1
InChIKeyJPTGCUUNDMEJFS-HUUCEWRRSA-N
XLogP1.00
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1R,5R)-N,N-dimethyl-6-[(1-propylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R*,5R*)-6-[3-(2-ethyl-1H-imidazol-1-yl)propanoyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 133117790
(1R*,5R*)-6-[(2-ethyl-1H-imidazol-1-yl)acetyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 133119081
(1R*,5R*)-6-[(2-ethyl-1H-imidazol-1-yl)acetyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
CID 133139158
4-((1H-imidazol-1-yl)methyl)-N,N-dimethylpiperidine-1-sulfonamide
CID 71781100
N,N-dimethyl-3-{2-[1-(1-pyrrolidinylsulfonyl)-3-piperidinyl]-1H-imidazol-1-yl}-1-propanamine
CID 72862722
(1R,5R)-6-[2-(2-ethylimidazol-1-yl)acetyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
CID 70731604
(1R,5R)-6-[2-(2-ethylimidazol-1-yl)acetyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 72904113
(1R,5R)-6-[3-(2-ethylimidazol-1-yl)propanoyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 72914154
N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]piperidine-1-sulfonamide
CID 84598459
N-(2-cyanopropyl)-3-(2-ethylimidazol-1-yl)-N-methylpiperidine-1-sulfonamide
CID 121537023
N-(2-cyanopropyl)-N-methyl-3-(1-methylimidazol-2-yl)piperidine-1-sulfonamide
CID 121537055
N-(2-cyanopropyl)-2-(1-ethylimidazol-2-yl)-N-methylpiperidine-1-sulfonamide
CID 121537060

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-N,N-dimethyl-6-[(1-propylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide?
The IUPAC name of (1R,5R)-N,N-dimethyl-6-[(1-propylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide (CID 70727344) is (1R,5R)-N,N-dimethyl-6-[(1-propylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide.
What is the SMILES notation for (1R,5R)-N,N-dimethyl-6-[(1-propylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide?
The canonical SMILES for (1R,5R)-N,N-dimethyl-6-[(1-propylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide is CCCn1ccnc1CN1C[C@H]2CC[C@@H]1CN(S(=O)(=O)N(C)C)C2.
What is the InChIKey of (1R,5R)-N,N-dimethyl-6-[(1-propylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide?
The InChIKey is JPTGCUUNDMEJFS-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H29N5O2S/c1-4-8-19-9-7-17-16(19)13-20-10-14-5-6-15(20)12-21(11-14)24(22,23)18(2)3/h7,9,14-15H,4-6,8,10-13H2,1-3H3/t14-,15-/m1/s1.
What are the key properties of (1R,5R)-N,N-dimethyl-6-[(1-propylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide?
(1R,5R)-N,N-dimethyl-6-[(1-propylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide has a molecular weight of 355.51 g/mol, XLogP of 1.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-N,N-dimethyl-6-[(1-propylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide is sourced from PubChem (CID 70727344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).