methyl (2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoate

C9H11NO3S2 — CID 3042859

IUPACmethyl (2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoate
SMILESCOC(=O)[C@H](CS)NC(=O)c1cccs1
InChIInChI=1S/C9H11NO3S2/c1-13-9(12)6(5-14)10-8(11)7-3-2-4-15-7/h2-4,6,14H,5H2,1H3,(H,10,11)/t6-/m0/s1
InChIKeyWLIPIVYUXABDSI-LURJTMIESA-N
MW245.32 g/mol
LogP0.95
Rot. Bonds4

About methyl (2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoate

methyl (2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoate (PubChem CID 3042859) has the molecular formula C9H11NO3S2 and a molecular weight of 245.32 g/mol. Its IUPAC name is methyl (2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoate.

Molecular Properties

Compound Namemethyl (2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoate
PubChem CID3042859
Molecular FormulaC9H11NO3S2
Molecular Weight245.32 g/mol
Exact Mass245.02
IUPAC Namemethyl (2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoate
SMILESCOC(=O)[C@H](CS)NC(=O)c1cccs1
InChIInChI=1S/C9H11NO3S2/c1-13-9(12)6(5-14)10-8(11)7-3-2-4-15-7/h2-4,6,14H,5H2,1H3,(H,10,11)/t6-/m0/s1
InChIKeyWLIPIVYUXABDSI-LURJTMIESA-N
XLogP0.95
TPSA55.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoic acid
CID 54554377
3-sulfanyl-2-(thiophene-2-carbonylamino)propanoate
CID 3703384
methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
(2R)-5-methoxy-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid
CID 107820841
N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide
CID 670280
methyl 2-amino-3-(thiophene-2-carbonylamino)propanoate
CID 22661369
methyl (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
CID 6923544
2-(thiophene-2-carbonylamino)butanedioic acid
CID 18517511
(2S)-4-methyl-2-(thiophene-2-carbonylamino)pentanoic acid
CID 42150236
ethyl (2S)-4-methyl-2-(thiophene-2-carbonylamino)pentanoate
CID 125041848
diethyl 2-(thiophene-2-carbonylamino)propanedioate
CID 43409057
methyl 2-[[6-[(1-methoxy-1-oxo-3-sulfanylpropan-2-yl)carbamoyl]naphthalene-2-carbonyl]amino]-3-sulfanylpropanoate
CID 58452015

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoate?
The IUPAC name of methyl (2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoate (CID 3042859) is methyl (2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoate.
What is the SMILES notation for methyl (2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoate?
The canonical SMILES for methyl (2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoate is COC(=O)[C@H](CS)NC(=O)c1cccs1.
What is the InChIKey of methyl (2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoate?
The InChIKey is WLIPIVYUXABDSI-LURJTMIESA-N. The full InChI is InChI=1S/C9H11NO3S2/c1-13-9(12)6(5-14)10-8(11)7-3-2-4-15-7/h2-4,6,14H,5H2,1H3,(H,10,11)/t6-/m0/s1.
What are the key properties of methyl (2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoate?
methyl (2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoate has a molecular weight of 245.32 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoate is sourced from PubChem (CID 3042859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).