2-amino-4-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)butanamide

C11H23N3O3S — CID 43516867

IUPAC2-amino-4-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)butanamide
SMILESCS(=O)(=O)CCC(N)C(=O)NCCN1CCCC1
InChIInChI=1S/C11H23N3O3S/c1-18(16,17)9-4-10(12)11(15)13-5-8-14-6-2-3-7-14/h10H,2-9,12H2,1H3,(H,13,15)
InChIKeyIPFMETDECRVDEK-UHFFFAOYSA-N
MW277.39 g/mol
LogP-1.04
Rot. Bonds7

About 2-amino-4-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)butanamide

2-amino-4-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)butanamide (PubChem CID 43516867) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-amino-4-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)butanamide.

Molecular Properties

Compound Name2-amino-4-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)butanamide
PubChem CID43516867
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC Name2-amino-4-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)butanamide
SMILESCS(=O)(=O)CCC(N)C(=O)NCCN1CCCC1
InChIInChI=1S/C11H23N3O3S/c1-18(16,17)9-4-10(12)11(15)13-5-8-14-6-2-3-7-14/h10H,2-9,12H2,1H3,(H,13,15)
InChIKeyIPFMETDECRVDEK-UHFFFAOYSA-N
XLogP-1.04
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 79025416
(2S)-2-amino-4-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide;dihydrochloride
CID 119834347
2-amino-N-ethyl-4-methylsulfonylbutanamide
CID 24697380
2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]hexanamide
CID 54860791
2-amino-N-butyl-4-methylsulfonylbutanamide
CID 24690618
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methylsulfonylbutanamide
CID 24707630
2-amino-N-(3-methylsulfinylpropyl)-4-methylsulfonylbutanamide
CID 115751066
(2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)pentanamide
CID 106325399
2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylsulfonylbutanamide
CID 43098583
(2S)-2-amino-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 103813710
(2S)-2-amino-4-(2-pyrrolidin-1-ylethylcarbamoylamino)butanoic acid
CID 67154377
2,2-difluoro-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 103514781

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)butanamide?
The IUPAC name of 2-amino-4-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)butanamide (CID 43516867) is 2-amino-4-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)butanamide.
What is the SMILES notation for 2-amino-4-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)butanamide?
The canonical SMILES for 2-amino-4-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)butanamide is CS(=O)(=O)CCC(N)C(=O)NCCN1CCCC1.
What is the InChIKey of 2-amino-4-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)butanamide?
The InChIKey is IPFMETDECRVDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-18(16,17)9-4-10(12)11(15)13-5-8-14-6-2-3-7-14/h10H,2-9,12H2,1H3,(H,13,15).
What are the key properties of 2-amino-4-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)butanamide?
2-amino-4-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)butanamide has a molecular weight of 277.39 g/mol, XLogP of -1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)butanamide is sourced from PubChem (CID 43516867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).