N-methyl-N-propyl-3,9-diazabicyclo[4.2.1]nonane-3-sulfonamide

C11H23N3O2S — CID 119989155

IUPACN-methyl-N-propyl-3,9-diazabicyclo[4.2.1]nonane-3-sulfonamide
SMILESCCCN(C)S(=O)(=O)N1CCC2CCC(C1)N2
InChIInChI=1S/C11H23N3O2S/c1-3-7-13(2)17(15,16)14-8-6-10-4-5-11(9-14)12-10/h10-12H,3-9H2,1-2H3
InChIKeyBMNYNIWFLRIAMF-UHFFFAOYSA-N
MW261.39 g/mol
LogP0.40
Rot. Bonds4

About N-methyl-N-propyl-3,9-diazabicyclo[4.2.1]nonane-3-sulfonamide

N-methyl-N-propyl-3,9-diazabicyclo[4.2.1]nonane-3-sulfonamide (PubChem CID 119989155) has the molecular formula C11H23N3O2S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-methyl-N-propyl-3,9-diazabicyclo[4.2.1]nonane-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-propyl-3,9-diazabicyclo[4.2.1]nonane-3-sulfonamide
PubChem CID119989155
Molecular FormulaC11H23N3O2S
Molecular Weight261.39 g/mol
Exact Mass261.15
IUPAC NameN-methyl-N-propyl-3,9-diazabicyclo[4.2.1]nonane-3-sulfonamide
SMILESCCCN(C)S(=O)(=O)N1CCC2CCC(C1)N2
InChIInChI=1S/C11H23N3O2S/c1-3-7-13(2)17(15,16)14-8-6-10-4-5-11(9-14)12-10/h10-12H,3-9H2,1-2H3
InChIKeyBMNYNIWFLRIAMF-UHFFFAOYSA-N
XLogP0.40
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-propyl-3,9-diazabicyclo[4.2.1]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

3-amino-N-methyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride
CID 119971553
4-amino-N-methyl-N-propylpiperidine-1-sulfonamide
CID 119958974
(3S)-3-amino-N-butyl-N-methylpyrrolidine-1-sulfonamide
CID 115302268
4-amino-N,3,3-trimethyl-N-propylpiperidine-1-sulfonamide;hydrochloride
CID 120779800
3-(2,2-dimethylpropylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane
CID 115314221
N-butyl-N,3,5-trimethylpiperazine-1-sulfonamide
CID 63873091
3-amino-N,4-dimethyl-N-propylpyrrolidine-1-sulfonamide;hydrochloride
CID 120585460
3-amino-N-butyl-N-methylpiperidine-1-sulfonamide;hydrochloride
CID 119959504
3-pyrrolidin-1-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119989191
N-(3-aminopropyl)-3-(1-hydroxyethyl)-N-methylpyrrolidine-1-sulfonamide
CID 112624880
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylmorpholine-4-sulfonamide
CID 61231913
N-ethyl-N-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 115314043

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propyl-3,9-diazabicyclo[4.2.1]nonane-3-sulfonamide?
The IUPAC name of N-methyl-N-propyl-3,9-diazabicyclo[4.2.1]nonane-3-sulfonamide (CID 119989155) is N-methyl-N-propyl-3,9-diazabicyclo[4.2.1]nonane-3-sulfonamide.
What is the SMILES notation for N-methyl-N-propyl-3,9-diazabicyclo[4.2.1]nonane-3-sulfonamide?
The canonical SMILES for N-methyl-N-propyl-3,9-diazabicyclo[4.2.1]nonane-3-sulfonamide is CCCN(C)S(=O)(=O)N1CCC2CCC(C1)N2.
What is the InChIKey of N-methyl-N-propyl-3,9-diazabicyclo[4.2.1]nonane-3-sulfonamide?
The InChIKey is BMNYNIWFLRIAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S/c1-3-7-13(2)17(15,16)14-8-6-10-4-5-11(9-14)12-10/h10-12H,3-9H2,1-2H3.
What are the key properties of N-methyl-N-propyl-3,9-diazabicyclo[4.2.1]nonane-3-sulfonamide?
N-methyl-N-propyl-3,9-diazabicyclo[4.2.1]nonane-3-sulfonamide has a molecular weight of 261.39 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propyl-3,9-diazabicyclo[4.2.1]nonane-3-sulfonamide is sourced from PubChem (CID 119989155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).