(2R,3S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanamide

C10H16N2O3S2 — CID 95567579

IUPAC(2R,3S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanamide
SMILESCC[C@H](C)[C@@H](NS(=O)(=O)c1cccs1)C(N)=O
InChIInChI=1S/C10H16N2O3S2/c1-3-7(2)9(10(11)13)12-17(14,15)8-5-4-6-16-8/h4-7,9,12H,3H2,1-2H3,(H2,11,13)/t7-,9+/m0/s1
InChIKeyONLZRCBQKAXANO-IONNQARKSA-N
MW276.38 g/mol
LogP0.93
Rot. Bonds6

About (2R,3S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanamide

(2R,3S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanamide (PubChem CID 95567579) has the molecular formula C10H16N2O3S2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2R,3S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanamide.

Molecular Properties

Compound Name(2R,3S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanamide
PubChem CID95567579
Molecular FormulaC10H16N2O3S2
Molecular Weight276.38 g/mol
Exact Mass276.06
IUPAC Name(2R,3S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanamide
SMILESCC[C@H](C)[C@@H](NS(=O)(=O)c1cccs1)C(N)=O
InChIInChI=1S/C10H16N2O3S2/c1-3-7(2)9(10(11)13)12-17(14,15)8-5-4-6-16-8/h4-7,9,12H,3H2,1-2H3,(H2,11,13)/t7-,9+/m0/s1
InChIKeyONLZRCBQKAXANO-IONNQARKSA-N
XLogP0.93
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanoic acid
CID 61173993
[2-oxo-2-(pentan-3-ylamino)ethyl] (2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate
CID 7977386
2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylpentanamide
CID 78786909
tert-butyl (2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate
CID 81003022
N-propyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 46820888
(2R)-N-(3-methoxypropyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 41111123
N-(1-methoxypropan-2-yl)thiophene-2-sulfonamide
CID 3781964
N'-hydroxy-3-(thiophen-2-ylsulfonylamino)butanimidamide
CID 76934852
N-(4-hydroxybutan-2-yl)thiophene-2-sulfonamide
CID 115477913
(2R)-3-methyl-N-(3-propan-2-yloxypropyl)-2-(thiophen-2-ylsulfonylamino)butanamide
CID 41111125
3-(3,4-dimethoxyphenyl)-3-(thiophen-2-ylsulfonylamino)propanoic acid
CID 45468993
(2R)-N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 26873900

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanamide?
The IUPAC name of (2R,3S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanamide (CID 95567579) is (2R,3S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanamide.
What is the SMILES notation for (2R,3S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanamide?
The canonical SMILES for (2R,3S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanamide is CC[C@H](C)[C@@H](NS(=O)(=O)c1cccs1)C(N)=O.
What is the InChIKey of (2R,3S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanamide?
The InChIKey is ONLZRCBQKAXANO-IONNQARKSA-N. The full InChI is InChI=1S/C10H16N2O3S2/c1-3-7(2)9(10(11)13)12-17(14,15)8-5-4-6-16-8/h4-7,9,12H,3H2,1-2H3,(H2,11,13)/t7-,9+/m0/s1.
What are the key properties of (2R,3S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanamide?
(2R,3S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanamide has a molecular weight of 276.38 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanamide is sourced from PubChem (CID 95567579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).