N-butyl-N-(pyrrolidin-2-ylmethyl)prop-2-ene-1-sulfonamide

C12H24N2O2S — CID 106609362

IUPACN-butyl-N-(pyrrolidin-2-ylmethyl)prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)N(CCCC)CC1CCCN1
InChIInChI=1S/C12H24N2O2S/c1-3-5-9-14(17(15,16)10-4-2)11-12-7-6-8-13-12/h4,12-13H,2-3,5-11H2,1H3
InChIKeyBAIOWDPLNMZNRT-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.36
Rot. Bonds8

About N-butyl-N-(pyrrolidin-2-ylmethyl)prop-2-ene-1-sulfonamide

N-butyl-N-(pyrrolidin-2-ylmethyl)prop-2-ene-1-sulfonamide (PubChem CID 106609362) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-butyl-N-(pyrrolidin-2-ylmethyl)prop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-butyl-N-(pyrrolidin-2-ylmethyl)prop-2-ene-1-sulfonamide
PubChem CID106609362
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-butyl-N-(pyrrolidin-2-ylmethyl)prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)N(CCCC)CC1CCCN1
InChIInChI=1S/C12H24N2O2S/c1-3-5-9-14(17(15,16)10-4-2)11-12-7-6-8-13-12/h4,12-13H,2-3,5-11H2,1H3
InChIKeyBAIOWDPLNMZNRT-UHFFFAOYSA-N
XLogP1.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-butyl-1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106609116
N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide
CID 106608788
1-methylsulfonyl-N-propyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106608529
N-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106609175
2-[[butyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]pyrrolidine
CID 106609173
2-[butyl(pyrrolidin-2-ylmethyl)amino]-N,N-bis(prop-2-enyl)acetamide
CID 106616738
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-1-amine
CID 22689623
N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butan-1-amine
CID 28598118
N-butyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106609083
N-ethyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide
CID 106608119
2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide
CID 106609340
3-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106609304

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(pyrrolidin-2-ylmethyl)prop-2-ene-1-sulfonamide?
The IUPAC name of N-butyl-N-(pyrrolidin-2-ylmethyl)prop-2-ene-1-sulfonamide (CID 106609362) is N-butyl-N-(pyrrolidin-2-ylmethyl)prop-2-ene-1-sulfonamide.
What is the SMILES notation for N-butyl-N-(pyrrolidin-2-ylmethyl)prop-2-ene-1-sulfonamide?
The canonical SMILES for N-butyl-N-(pyrrolidin-2-ylmethyl)prop-2-ene-1-sulfonamide is C=CCS(=O)(=O)N(CCCC)CC1CCCN1.
What is the InChIKey of N-butyl-N-(pyrrolidin-2-ylmethyl)prop-2-ene-1-sulfonamide?
The InChIKey is BAIOWDPLNMZNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-3-5-9-14(17(15,16)10-4-2)11-12-7-6-8-13-12/h4,12-13H,2-3,5-11H2,1H3.
What are the key properties of N-butyl-N-(pyrrolidin-2-ylmethyl)prop-2-ene-1-sulfonamide?
N-butyl-N-(pyrrolidin-2-ylmethyl)prop-2-ene-1-sulfonamide has a molecular weight of 260.40 g/mol, XLogP of 1.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(pyrrolidin-2-ylmethyl)prop-2-ene-1-sulfonamide is sourced from PubChem (CID 106609362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).