3-[(3R,4R)-3,4-bis[(dimethylamino)methyl]pyrrolidine-1-carbonyl]piperidine-1-sulfonamide

C16H33N5O3S — CID 167883223

IUPAC3-[(3R,4R)-3,4-bis[(dimethylamino)methyl]pyrrolidine-1-carbonyl]piperidine-1-sulfonamide
SMILESCN(C)C[C@@H]1CN(C(=O)C2CCCN(S(N)(=O)=O)C2)C[C@H]1CN(C)C
InChIInChI=1S/C16H33N5O3S/c1-18(2)8-14-10-20(11-15(14)9-19(3)4)16(22)13-6-5-7-21(12-13)25(17,23)24/h13-15H,5-12H2,1-4H3,(H2,17,23,24)/t13?,14-,15-/m1/s1
InChIKeyGMNOOMUYOCJYOK-JVIGXAJISA-N
MW375.54 g/mol
LogP-0.90
Rot. Bonds6

About 3-[(3R,4R)-3,4-bis[(dimethylamino)methyl]pyrrolidine-1-carbonyl]piperidine-1-sulfonamide

3-[(3R,4R)-3,4-bis[(dimethylamino)methyl]pyrrolidine-1-carbonyl]piperidine-1-sulfonamide (PubChem CID 167883223) has the molecular formula C16H33N5O3S and a molecular weight of 375.54 g/mol. Its IUPAC name is 3-[(3R,4R)-3,4-bis[(dimethylamino)methyl]pyrrolidine-1-carbonyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-[(3R,4R)-3,4-bis[(dimethylamino)methyl]pyrrolidine-1-carbonyl]piperidine-1-sulfonamide
PubChem CID167883223
Molecular FormulaC16H33N5O3S
Molecular Weight375.54 g/mol
Exact Mass375.23
IUPAC Name3-[(3R,4R)-3,4-bis[(dimethylamino)methyl]pyrrolidine-1-carbonyl]piperidine-1-sulfonamide
SMILESCN(C)C[C@@H]1CN(C(=O)C2CCCN(S(N)(=O)=O)C2)C[C@H]1CN(C)C
InChIInChI=1S/C16H33N5O3S/c1-18(2)8-14-10-20(11-15(14)9-19(3)4)16(22)13-6-5-7-21(12-13)25(17,23)24/h13-15H,5-12H2,1-4H3,(H2,17,23,24)/t13?,14-,15-/m1/s1
InChIKeyGMNOOMUYOCJYOK-JVIGXAJISA-N
XLogP-0.90
TPSA90.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(3R,4R)-3,4-bis[(dimethylamino)methyl]pyrrolidine-1-carbonyl]piperidine-1-sulfonamide with MolForge

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Related Compounds

(3S)-N,N-dimethyl-3-(4-methylpiperidine-1-carbonyl)piperidine-1-sulfonamide
CID 94013163
1-sulfamoylpiperidine-3-carboxamide
CID 43132049
1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-4-carboxamide
CID 45372000
azepan-1-yl-(1-methylsulfonylpiperidin-3-yl)methanone
CID 45153724
N-methyl-1-sulfamoylpiperidine-3-carboxamide
CID 103657393
1-[1-[cyclohexyl(methyl)sulfamoyl]piperidine-3-carbonyl]piperidine-4-carboxamide
CID 22552859
1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-3-carboxylic acid
CID 43355832
(3S)-1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-3-carboxylic acid
CID 81120769
[(3S)-3-hydroxypyrrolidin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone
CID 79030868
N,N-diethyl-4-(1-ethylsulfonylpiperidine-3-carbonyl)piperazine-1-carboxamide
CID 136578480
(3R)-3-(4-formylpiperazine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide
CID 94015669
cyclopropyl-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]methanone
CID 55682841

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4R)-3,4-bis[(dimethylamino)methyl]pyrrolidine-1-carbonyl]piperidine-1-sulfonamide?
The IUPAC name of 3-[(3R,4R)-3,4-bis[(dimethylamino)methyl]pyrrolidine-1-carbonyl]piperidine-1-sulfonamide (CID 167883223) is 3-[(3R,4R)-3,4-bis[(dimethylamino)methyl]pyrrolidine-1-carbonyl]piperidine-1-sulfonamide.
What is the SMILES notation for 3-[(3R,4R)-3,4-bis[(dimethylamino)methyl]pyrrolidine-1-carbonyl]piperidine-1-sulfonamide?
The canonical SMILES for 3-[(3R,4R)-3,4-bis[(dimethylamino)methyl]pyrrolidine-1-carbonyl]piperidine-1-sulfonamide is CN(C)C[C@@H]1CN(C(=O)C2CCCN(S(N)(=O)=O)C2)C[C@H]1CN(C)C.
What is the InChIKey of 3-[(3R,4R)-3,4-bis[(dimethylamino)methyl]pyrrolidine-1-carbonyl]piperidine-1-sulfonamide?
The InChIKey is GMNOOMUYOCJYOK-JVIGXAJISA-N. The full InChI is InChI=1S/C16H33N5O3S/c1-18(2)8-14-10-20(11-15(14)9-19(3)4)16(22)13-6-5-7-21(12-13)25(17,23)24/h13-15H,5-12H2,1-4H3,(H2,17,23,24)/t13?,14-,15-/m1/s1.
What are the key properties of 3-[(3R,4R)-3,4-bis[(dimethylamino)methyl]pyrrolidine-1-carbonyl]piperidine-1-sulfonamide?
3-[(3R,4R)-3,4-bis[(dimethylamino)methyl]pyrrolidine-1-carbonyl]piperidine-1-sulfonamide has a molecular weight of 375.54 g/mol, XLogP of -0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4R)-3,4-bis[(dimethylamino)methyl]pyrrolidine-1-carbonyl]piperidine-1-sulfonamide is sourced from PubChem (CID 167883223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).