(2S)-1-(prop-2-enylamino)-3-thiophen-2-ylsulfanylpropan-2-ol

C10H15NOS2 — CID 7004667

IUPAC(2S)-1-(prop-2-enylamino)-3-thiophen-2-ylsulfanylpropan-2-ol
SMILESC=CCNC[C@H](O)CSc1cccs1
InChIInChI=1S/C10H15NOS2/c1-2-5-11-7-9(12)8-14-10-4-3-6-13-10/h2-4,6,9,11-12H,1,5,7-8H2/t9-/m0/s1
InChIKeyIXOCGJIWZWSIHA-VIFPVBQESA-N
MW229.37 g/mol
LogP1.98
Rot. Bonds7

About (2S)-1-(prop-2-enylamino)-3-thiophen-2-ylsulfanylpropan-2-ol

(2S)-1-(prop-2-enylamino)-3-thiophen-2-ylsulfanylpropan-2-ol (PubChem CID 7004667) has the molecular formula C10H15NOS2 and a molecular weight of 229.37 g/mol. Its IUPAC name is (2S)-1-(prop-2-enylamino)-3-thiophen-2-ylsulfanylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-(prop-2-enylamino)-3-thiophen-2-ylsulfanylpropan-2-ol
PubChem CID7004667
Molecular FormulaC10H15NOS2
Molecular Weight229.37 g/mol
Exact Mass229.06
IUPAC Name(2S)-1-(prop-2-enylamino)-3-thiophen-2-ylsulfanylpropan-2-ol
SMILESC=CCNC[C@H](O)CSc1cccs1
InChIInChI=1S/C10H15NOS2/c1-2-5-11-7-9(12)8-14-10-4-3-6-13-10/h2-4,6,9,11-12H,1,5,7-8H2/t9-/m0/s1
InChIKeyIXOCGJIWZWSIHA-VIFPVBQESA-N
XLogP1.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-1-(prop-2-enylamino)-3-thiophen-2-ylsulfanylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(prop-2-enylamino)-3-pyrimidin-2-yloxypropan-2-ol
CID 70545011
(2R)-2-(methylamino)-3-thiophen-2-ylsulfanylpropanoic acid
CID 69098628
2-(propan-2-ylamino)-3-thiophen-2-ylsulfanylpropan-1-ol
CID 64821282
1-amino-4-thiophen-2-ylsulfanylbutan-2-ol
CID 64814678
(2R)-1-phenylmethoxy-3-(prop-2-enylamino)propan-2-ol
CID 118006903
N-prop-2-enyl-2-(2-thiophen-2-ylethoxy)propan-1-amine
CID 62583502
1-(2-hydroxy-2-thiophen-2-ylethyl)-3-prop-2-enylurea
CID 90500385
1-methoxy-N-methyl-3-thiophen-2-ylsulfanylpropan-2-amine
CID 107511242
2-(2,2-diethoxyethylsulfanyl)thiophene
CID 12623867
3,3,3-trifluoro-N'-hydroxy-2-(thiophen-2-ylsulfanylmethyl)propanimidamide
CID 103371309
3-[1-hydroxy-2-(prop-2-enylamino)ethyl]phenol;hydrochloride
CID 70405154
1-thiophen-2-yltellanylhex-5-en-2-ol
CID 15258826

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(prop-2-enylamino)-3-thiophen-2-ylsulfanylpropan-2-ol?
The IUPAC name of (2S)-1-(prop-2-enylamino)-3-thiophen-2-ylsulfanylpropan-2-ol (CID 7004667) is (2S)-1-(prop-2-enylamino)-3-thiophen-2-ylsulfanylpropan-2-ol.
What is the SMILES notation for (2S)-1-(prop-2-enylamino)-3-thiophen-2-ylsulfanylpropan-2-ol?
The canonical SMILES for (2S)-1-(prop-2-enylamino)-3-thiophen-2-ylsulfanylpropan-2-ol is C=CCNC[C@H](O)CSc1cccs1.
What is the InChIKey of (2S)-1-(prop-2-enylamino)-3-thiophen-2-ylsulfanylpropan-2-ol?
The InChIKey is IXOCGJIWZWSIHA-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15NOS2/c1-2-5-11-7-9(12)8-14-10-4-3-6-13-10/h2-4,6,9,11-12H,1,5,7-8H2/t9-/m0/s1.
What are the key properties of (2S)-1-(prop-2-enylamino)-3-thiophen-2-ylsulfanylpropan-2-ol?
(2S)-1-(prop-2-enylamino)-3-thiophen-2-ylsulfanylpropan-2-ol has a molecular weight of 229.37 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(prop-2-enylamino)-3-thiophen-2-ylsulfanylpropan-2-ol is sourced from PubChem (CID 7004667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).