N-[(2S)-2-(3,3-diethylpyrrolidin-1-yl)propyl]propane-1-sulfonamide

C14H30N2O2S — CID 164641818

IUPACN-[(2S)-2-(3,3-diethylpyrrolidin-1-yl)propyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC[C@H](C)N1CCC(CC)(CC)C1
InChIInChI=1S/C14H30N2O2S/c1-5-10-19(17,18)15-11-13(4)16-9-8-14(6-2,7-3)12-16/h13,15H,5-12H2,1-4H3/t13-/m0/s1
InChIKeyJXSGMMWAZYLQNA-ZDUSSCGKSA-N
MW290.47 g/mol
LogP2.22
Rot. Bonds8

About N-[(2S)-2-(3,3-diethylpyrrolidin-1-yl)propyl]propane-1-sulfonamide

N-[(2S)-2-(3,3-diethylpyrrolidin-1-yl)propyl]propane-1-sulfonamide (PubChem CID 164641818) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is N-[(2S)-2-(3,3-diethylpyrrolidin-1-yl)propyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(3,3-diethylpyrrolidin-1-yl)propyl]propane-1-sulfonamide
PubChem CID164641818
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC NameN-[(2S)-2-(3,3-diethylpyrrolidin-1-yl)propyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC[C@H](C)N1CCC(CC)(CC)C1
InChIInChI=1S/C14H30N2O2S/c1-5-10-19(17,18)15-11-13(4)16-9-8-14(6-2,7-3)12-16/h13,15H,5-12H2,1-4H3/t13-/m0/s1
InChIKeyJXSGMMWAZYLQNA-ZDUSSCGKSA-N
XLogP2.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]propane-1-sulfonamide
CID 91922807
3-[rel-(3R,4S)-3-amino-4-cyclopropyl-1-pyrrolidinyl]-N,N-dimethyl-1-propanesulfonamide dihydrochloride
CID 72927284
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 84595633
N-[(3S)-1-cyclopentylpyrrolidin-3-yl]butane-1-sulfonamide
CID 95322394
N-[(2R)-3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl]ethanesulfonamide
CID 164643209
[3-Methyl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]methanamine
CID 113736119
N-(1-methylpyrrolidin-3-yl)propane-2-sulfonamide
CID 23563421
N-[(2S)-2-amino-3,3-dimethylbutyl]-N-methylethanesulfonamide
CID 57846654
N-(1-propan-2-ylpyrrolidin-3-yl)propane-2-sulfonamide
CID 58032238
(2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylbutan-2-amine
CID 58799617
(2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3-dimethylbutan-2-amine
CID 58799899
N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N-methylpropane-2-sulfonamide
CID 58821578

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(3,3-diethylpyrrolidin-1-yl)propyl]propane-1-sulfonamide?
The IUPAC name of N-[(2S)-2-(3,3-diethylpyrrolidin-1-yl)propyl]propane-1-sulfonamide (CID 164641818) is N-[(2S)-2-(3,3-diethylpyrrolidin-1-yl)propyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(2S)-2-(3,3-diethylpyrrolidin-1-yl)propyl]propane-1-sulfonamide?
The canonical SMILES for N-[(2S)-2-(3,3-diethylpyrrolidin-1-yl)propyl]propane-1-sulfonamide is CCCS(=O)(=O)NC[C@H](C)N1CCC(CC)(CC)C1.
What is the InChIKey of N-[(2S)-2-(3,3-diethylpyrrolidin-1-yl)propyl]propane-1-sulfonamide?
The InChIKey is JXSGMMWAZYLQNA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-5-10-19(17,18)15-11-13(4)16-9-8-14(6-2,7-3)12-16/h13,15H,5-12H2,1-4H3/t13-/m0/s1.
What are the key properties of N-[(2S)-2-(3,3-diethylpyrrolidin-1-yl)propyl]propane-1-sulfonamide?
N-[(2S)-2-(3,3-diethylpyrrolidin-1-yl)propyl]propane-1-sulfonamide has a molecular weight of 290.47 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(3,3-diethylpyrrolidin-1-yl)propyl]propane-1-sulfonamide is sourced from PubChem (CID 164641818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).