(2S)-6-amino-N-hydroxy-2-[[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]sulfonylamino]hexanamide

C15H21N5O4S3 — CID 10310197

IUPAC(2S)-6-amino-N-hydroxy-2-[[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]sulfonylamino]hexanamide
SMILESCSc1nccc(-c2ccc(S(=O)(=O)N[C@@H](CCCCN)C(=O)NO)s2)n1
InChIInChI=1S/C15H21N5O4S3/c1-25-15-17-9-7-10(18-15)12-5-6-13(26-12)27(23,24)20-11(14(21)19-22)4-2-3-8-16/h5-7,9,11,20,22H,2-4,8,16H2,1H3,(H,19,21)/t11-/m0/s1
InChIKeySRLKWXZIGIQMHN-NSHDSACASA-N
MW431.57 g/mol
LogP1.21
Rot. Bonds10

About (2S)-6-amino-N-hydroxy-2-[[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]sulfonylamino]hexanamide

(2S)-6-amino-N-hydroxy-2-[[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]sulfonylamino]hexanamide (PubChem CID 10310197) has the molecular formula C15H21N5O4S3 and a molecular weight of 431.57 g/mol. Its IUPAC name is (2S)-6-amino-N-hydroxy-2-[[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]sulfonylamino]hexanamide.

Molecular Properties

Compound Name(2S)-6-amino-N-hydroxy-2-[[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]sulfonylamino]hexanamide
PubChem CID10310197
Molecular FormulaC15H21N5O4S3
Molecular Weight431.57 g/mol
Exact Mass431.08
IUPAC Name(2S)-6-amino-N-hydroxy-2-[[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]sulfonylamino]hexanamide
SMILESCSc1nccc(-c2ccc(S(=O)(=O)N[C@@H](CCCCN)C(=O)NO)s2)n1
InChIInChI=1S/C15H21N5O4S3/c1-25-15-17-9-7-10(18-15)12-5-6-13(26-12)27(23,24)20-11(14(21)19-22)4-2-3-8-16/h5-7,9,11,20,22H,2-4,8,16H2,1H3,(H,19,21)/t11-/m0/s1
InChIKeySRLKWXZIGIQMHN-NSHDSACASA-N
XLogP1.21
TPSA147.30 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.57
LogP ≤ 51.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-N-hydroxy-2-[[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]sulfonylamino]hexanamide?
The IUPAC name of (2S)-6-amino-N-hydroxy-2-[[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]sulfonylamino]hexanamide (CID 10310197) is (2S)-6-amino-N-hydroxy-2-[[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]sulfonylamino]hexanamide.
What is the SMILES notation for (2S)-6-amino-N-hydroxy-2-[[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]sulfonylamino]hexanamide?
The canonical SMILES for (2S)-6-amino-N-hydroxy-2-[[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]sulfonylamino]hexanamide is CSc1nccc(-c2ccc(S(=O)(=O)N[C@@H](CCCCN)C(=O)NO)s2)n1.
What is the InChIKey of (2S)-6-amino-N-hydroxy-2-[[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]sulfonylamino]hexanamide?
The InChIKey is SRLKWXZIGIQMHN-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N5O4S3/c1-25-15-17-9-7-10(18-15)12-5-6-13(26-12)27(23,24)20-11(14(21)19-22)4-2-3-8-16/h5-7,9,11,20,22H,2-4,8,16H2,1H3,(H,19,21)/t11-/m0/s1.
What are the key properties of (2S)-6-amino-N-hydroxy-2-[[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]sulfonylamino]hexanamide?
(2S)-6-amino-N-hydroxy-2-[[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]sulfonylamino]hexanamide has a molecular weight of 431.57 g/mol, XLogP of 1.21, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-N-hydroxy-2-[[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]sulfonylamino]hexanamide is sourced from PubChem (CID 10310197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).