N-propan-2-yl-N-pyrrolidin-3-ylbutane-1-sulfonamide

C11H24N2O2S — CID 82177219

IUPACN-propan-2-yl-N-pyrrolidin-3-ylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(C(C)C)C1CCNC1
InChIInChI=1S/C11H24N2O2S/c1-4-5-8-16(14,15)13(10(2)3)11-6-7-12-9-11/h10-12H,4-9H2,1-3H3
InChIKeyMUUGKDKPTRJPPB-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.19
Rot. Bonds6

About N-propan-2-yl-N-pyrrolidin-3-ylbutane-1-sulfonamide

N-propan-2-yl-N-pyrrolidin-3-ylbutane-1-sulfonamide (PubChem CID 82177219) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-propan-2-yl-N-pyrrolidin-3-ylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-propan-2-yl-N-pyrrolidin-3-ylbutane-1-sulfonamide
PubChem CID82177219
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-propan-2-yl-N-pyrrolidin-3-ylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(C(C)C)C1CCNC1
InChIInChI=1S/C11H24N2O2S/c1-4-5-8-16(14,15)13(10(2)3)11-6-7-12-9-11/h10-12H,4-9H2,1-3H3
InChIKeyMUUGKDKPTRJPPB-UHFFFAOYSA-N
XLogP1.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-N-pyrrolidin-3-ylethanesulfonamide
CID 60805146
N-propyl-N-pyrrolidin-3-ylpropane-1-sulfonamide;hydrochloride
CID 119976707
N-(1-pyrrolidin-3-ylethyl)butane-1-sulfonamide
CID 103976958
N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide
CID 118527469
N-ethyl-N-(2-ethylsulfonylethyl)pyrrolidin-3-amine
CID 63299823
N-ethyl-N-nonan-2-ylpyrrolidin-3-amine
CID 63299683
N-ethyl-N-octan-2-ylpyrrolidin-3-amine
CID 63299767
N-ethyl-N-[methyl(propan-2-yl)sulfamoyl]pyrrolidin-3-amine
CID 61455580
N-methyl-N-piperidin-4-ylethanesulfonamide
CID 43606907
1-butylsulfonyl-4-pyrrolidin-3-ylpiperidine
CID 91910159
N-piperidin-4-yl-N-(2-pyrrolidin-2-ylethyl)butane-1-sulfonamide
CID 118527460
N-(piperidin-3-ylmethyl)-N-propylbutane-1-sulfonamide
CID 106631296

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-pyrrolidin-3-ylbutane-1-sulfonamide?
The IUPAC name of N-propan-2-yl-N-pyrrolidin-3-ylbutane-1-sulfonamide (CID 82177219) is N-propan-2-yl-N-pyrrolidin-3-ylbutane-1-sulfonamide.
What is the SMILES notation for N-propan-2-yl-N-pyrrolidin-3-ylbutane-1-sulfonamide?
The canonical SMILES for N-propan-2-yl-N-pyrrolidin-3-ylbutane-1-sulfonamide is CCCCS(=O)(=O)N(C(C)C)C1CCNC1.
What is the InChIKey of N-propan-2-yl-N-pyrrolidin-3-ylbutane-1-sulfonamide?
The InChIKey is MUUGKDKPTRJPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-4-5-8-16(14,15)13(10(2)3)11-6-7-12-9-11/h10-12H,4-9H2,1-3H3.
What are the key properties of N-propan-2-yl-N-pyrrolidin-3-ylbutane-1-sulfonamide?
N-propan-2-yl-N-pyrrolidin-3-ylbutane-1-sulfonamide has a molecular weight of 248.39 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-pyrrolidin-3-ylbutane-1-sulfonamide is sourced from PubChem (CID 82177219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).