N-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3,3-dimethylbutane-1-sulfonamide

C14H26N2O3S — CID 124615118

IUPACN-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NC[C@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C14H26N2O3S/c1-14(2,3)6-7-20(18,19)15-9-11-8-13(17)16(10-11)12-4-5-12/h11-12,15H,4-10H2,1-3H3/t11-/m1/s1
InChIKeyXLCPAMODXWVXKF-LLVKDONJSA-N
MW302.44 g/mol
LogP1.35
Rot. Bonds6

About N-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3,3-dimethylbutane-1-sulfonamide

N-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3,3-dimethylbutane-1-sulfonamide (PubChem CID 124615118) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is N-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3,3-dimethylbutane-1-sulfonamide
PubChem CID124615118
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC NameN-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NC[C@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C14H26N2O3S/c1-14(2,3)6-7-20(18,19)15-9-11-8-13(17)16(10-11)12-4-5-12/h11-12,15H,4-10H2,1-3H3/t11-/m1/s1
InChIKeyXLCPAMODXWVXKF-LLVKDONJSA-N
XLogP1.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3,3-dimethylbutane-1-sulfonamide
CID 124615117
N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]methanesulfonamide
CID 99919595
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide
CID 131900553
3-chloro-N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110719965
(4R)-1-cyclopentyl-4-(methylaminomethyl)pyrrolidin-2-one
CID 26722502
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 131935678
1-cyclohexyl-4-(methylaminomethyl)pyrrolidin-2-one
CID 83533637
(4S)-1-cyclopropyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259346
(4R)-1-cyclopropyl-4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]pyrrolidin-2-one
CID 164636504
4-[[(2-amino-6-methoxypyrimidin-4-yl)amino]methyl]-1-cyclopropylpyrrolidin-2-one
CID 45249833
N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]ethanesulfonamide
CID 16919671
1-tert-butyl-2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]guanidine
CID 110018474

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3,3-dimethylbutane-1-sulfonamide (CID 124615118) is N-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3,3-dimethylbutane-1-sulfonamide is CC(C)(C)CCS(=O)(=O)NC[C@H]1CC(=O)N(C2CC2)C1.
What is the InChIKey of N-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is XLCPAMODXWVXKF-LLVKDONJSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-14(2,3)6-7-20(18,19)15-9-11-8-13(17)16(10-11)12-4-5-12/h11-12,15H,4-10H2,1-3H3/t11-/m1/s1.
What are the key properties of N-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3,3-dimethylbutane-1-sulfonamide?
N-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 302.44 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 124615118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).