(2S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanoic acid

C10H15NO4S2 — CID 61173993

IUPAC(2S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanoic acid
SMILESCCC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)O
InChIInChI=1S/C10H15NO4S2/c1-3-7(2)9(10(12)13)11-17(14,15)8-5-4-6-16-8/h4-7,9,11H,3H2,1-2H3,(H,12,13)/t7?,9-/m0/s1
InChIKeyBTEYGZQXOOESPM-NETXQHHPSA-N
MW277.37 g/mol
LogP1.53
Rot. Bonds6

About (2S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanoic acid

(2S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanoic acid (PubChem CID 61173993) has the molecular formula C10H15NO4S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (2S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanoic acid
PubChem CID61173993
Molecular FormulaC10H15NO4S2
Molecular Weight277.37 g/mol
Exact Mass277.04
IUPAC Name(2S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanoic acid
SMILESCCC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)O
InChIInChI=1S/C10H15NO4S2/c1-3-7(2)9(10(12)13)11-17(14,15)8-5-4-6-16-8/h4-7,9,11H,3H2,1-2H3,(H,12,13)/t7?,9-/m0/s1
InChIKeyBTEYGZQXOOESPM-NETXQHHPSA-N
XLogP1.53
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanamide
CID 95567579
2-[(5-ethylthiophen-2-yl)sulfonylamino]-3-methylpentanoic acid
CID 61063154
[2-oxo-2-(pentan-3-ylamino)ethyl] (2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate
CID 7977386
(2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 61173816
tert-butyl (2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate
CID 81003022
N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 22427284
(2R)-N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 26873900
(2S,3R)-2-[(4-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 6541721
(2S,3R)-2-[(4-bromophenyl)sulfonylamino]-3-methylpentanoic acid
CID 6362488
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

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanoic acid?
The IUPAC name of (2S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanoic acid (CID 61173993) is (2S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanoic acid.
What is the SMILES notation for (2S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanoic acid?
The canonical SMILES for (2S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanoic acid is CCC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)O.
What is the InChIKey of (2S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanoic acid?
The InChIKey is BTEYGZQXOOESPM-NETXQHHPSA-N. The full InChI is InChI=1S/C10H15NO4S2/c1-3-7(2)9(10(12)13)11-17(14,15)8-5-4-6-16-8/h4-7,9,11H,3H2,1-2H3,(H,12,13)/t7?,9-/m0/s1.
What are the key properties of (2S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanoic acid?
(2S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanoic acid has a molecular weight of 277.37 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanoic acid is sourced from PubChem (CID 61173993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).