N-(1-pyrrolidin-3-ylethyl)butane-1-sulfonamide

C10H22N2O2S — CID 103976958

IUPACN-(1-pyrrolidin-3-ylethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC(C)C1CCNC1
InChIInChI=1S/C10H22N2O2S/c1-3-4-7-15(13,14)12-9(2)10-5-6-11-8-10/h9-12H,3-8H2,1-2H3
InChIKeyKFZRXBHQKAIGMF-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.70
Rot. Bonds6

About N-(1-pyrrolidin-3-ylethyl)butane-1-sulfonamide

N-(1-pyrrolidin-3-ylethyl)butane-1-sulfonamide (PubChem CID 103976958) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-(1-pyrrolidin-3-ylethyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-pyrrolidin-3-ylethyl)butane-1-sulfonamide
PubChem CID103976958
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-(1-pyrrolidin-3-ylethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC(C)C1CCNC1
InChIInChI=1S/C10H22N2O2S/c1-3-4-7-15(13,14)12-9(2)10-5-6-11-8-10/h9-12H,3-8H2,1-2H3
InChIKeyKFZRXBHQKAIGMF-UHFFFAOYSA-N
XLogP0.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-piperidin-3-ylethyl)butane-1-sulfonamide
CID 43523463
N-[(1R)-1-cyclopropylethyl]butane-1-sulfonamide
CID 95761810
1-cyclohexyl-N-(1-pyrrolidin-3-ylethyl)methanesulfonamide
CID 103976990
ethyl 3-(1-piperidin-3-ylethylsulfamoyl)propanoate
CID 62047075
1-methylsulfonyl-N-(1-piperidin-4-ylethyl)methanesulfonamide
CID 82842428
(1S)-N-ethyl-1-[(3S)-pyrrolidin-3-yl]ethanamine
CID 10034728
2-phenyl-N-(1-piperidin-3-ylethyl)ethanesulfonamide;hydrochloride
CID 119970304
N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide
CID 63623248
ethane;N-ethyl-1-pyrrolidin-3-ylethanamine;propane
CID 143400696
N-propan-2-yl-N-pyrrolidin-3-ylbutane-1-sulfonamide
CID 82177219
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]butane-1-sulfonamide
CID 98297363
(1R)-N-methyl-1-[(3S)-pyrrolidin-3-yl]ethanamine
CID 15223500

Frequently Asked Questions

What is the IUPAC name of N-(1-pyrrolidin-3-ylethyl)butane-1-sulfonamide?
The IUPAC name of N-(1-pyrrolidin-3-ylethyl)butane-1-sulfonamide (CID 103976958) is N-(1-pyrrolidin-3-ylethyl)butane-1-sulfonamide.
What is the SMILES notation for N-(1-pyrrolidin-3-ylethyl)butane-1-sulfonamide?
The canonical SMILES for N-(1-pyrrolidin-3-ylethyl)butane-1-sulfonamide is CCCCS(=O)(=O)NC(C)C1CCNC1.
What is the InChIKey of N-(1-pyrrolidin-3-ylethyl)butane-1-sulfonamide?
The InChIKey is KFZRXBHQKAIGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-3-4-7-15(13,14)12-9(2)10-5-6-11-8-10/h9-12H,3-8H2,1-2H3.
What are the key properties of N-(1-pyrrolidin-3-ylethyl)butane-1-sulfonamide?
N-(1-pyrrolidin-3-ylethyl)butane-1-sulfonamide has a molecular weight of 234.36 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrrolidin-3-ylethyl)butane-1-sulfonamide is sourced from PubChem (CID 103976958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).