N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide

C14H28N2O3S — CID 102915113

IUPACN-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCC(C)C(CNC(=O)C1CCCN1S(C)(=O)=O)C(C)C
InChIInChI=1S/C14H28N2O3S/c1-10(2)12(11(3)4)9-15-14(17)13-7-6-8-16(13)20(5,18)19/h10-13H,6-9H2,1-5H3,(H,15,17)
InChIKeyBDZXJZJWUFDFFT-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.45
Rot. Bonds6

About N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide

N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide (PubChem CID 102915113) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide
PubChem CID102915113
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCC(C)C(CNC(=O)C1CCCN1S(C)(=O)=O)C(C)C
InChIInChI=1S/C14H28N2O3S/c1-10(2)12(11(3)4)9-15-14(17)13-7-6-8-16(13)20(5,18)19/h10-13H,6-9H2,1-5H3,(H,15,17)
InChIKeyBDZXJZJWUFDFFT-UHFFFAOYSA-N
XLogP1.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-4-methylpentyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 103771592
2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid
CID 62676219
(2S)-N-[(2R)-2-(dimethylamino)-3-methylbutyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 94014919
N-(3-methyl-2-morpholin-4-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 55526700
(2S)-N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 94026257
N-(cyclopropylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 47158071
2-[[(1-methylsulfonylpiperidine-2-carbonyl)amino]methyl]butanoic acid
CID 65218125
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 86823860
1-methylsulfonyl-N-propan-2-yloxypyrrolidine-2-carboxamide
CID 154860289
1-methylsulfonyl-N-pentan-3-ylpyrrolidine-2-carboxamide
CID 134050674
2,2-dimethyl-3-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 81368766
2,2-dimethyl-3-[[(2S)-1-methylsulfonylpyrrolidine-2-carbonyl]amino]propanoic acid
CID 124585096

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide (CID 102915113) is N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide is CC(C)C(CNC(=O)C1CCCN1S(C)(=O)=O)C(C)C.
What is the InChIKey of N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is BDZXJZJWUFDFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-10(2)12(11(3)4)9-15-14(17)13-7-6-8-16(13)20(5,18)19/h10-13H,6-9H2,1-5H3,(H,15,17).
What are the key properties of N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 304.46 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102915113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).