2-(5-aminosulfanyl-2-methylthiophen-3-yl)propan-2-ol

C8H13NOS2 — CID 142522837

IUPAC2-(5-aminosulfanyl-2-methylthiophen-3-yl)propan-2-ol
SMILESCc1sc(SN)cc1C(C)(C)O
InChIInChI=1S/C8H13NOS2/c1-5-6(8(2,3)10)4-7(11-5)12-9/h4,10H,9H2,1-3H3
InChIKeyPKRSQBYARKPIEY-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.25
Rot. Bonds2

About 2-(5-aminosulfanyl-2-methylthiophen-3-yl)propan-2-ol

2-(5-aminosulfanyl-2-methylthiophen-3-yl)propan-2-ol (PubChem CID 142522837) has the molecular formula C8H13NOS2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 2-(5-aminosulfanyl-2-methylthiophen-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-(5-aminosulfanyl-2-methylthiophen-3-yl)propan-2-ol
PubChem CID142522837
Molecular FormulaC8H13NOS2
Molecular Weight203.33 g/mol
Exact Mass203.04
IUPAC Name2-(5-aminosulfanyl-2-methylthiophen-3-yl)propan-2-ol
SMILESCc1sc(SN)cc1C(C)(C)O
InChIInChI=1S/C8H13NOS2/c1-5-6(8(2,3)10)4-7(11-5)12-9/h4,10H,9H2,1-3H3
InChIKeyPKRSQBYARKPIEY-UHFFFAOYSA-N
XLogP2.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide
CID 142522466
(S)-3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide
CID 146570551
4-Fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide
CID 146618217
2-(2,5-Dimethylthiophen-3-yl)pent-4-en-2-ol
CID 101782917
2-[2-(Trifluoromethyl)thiophen-3-yl]butan-2-ol
CID 130820362
2-(5-Aminosulfanyl-4-fluorothiophen-2-yl)propan-2-ol
CID 142522427
2-[5-[Amino(methylidene)-lambda4-sulfanyl]-4-fluorothiophen-2-yl]propan-2-ol
CID 142522485
2-[5-(S-amino-N-methylsulfinimidoyl)-4-fluorothiophen-2-yl]propan-2-ol
CID 153389601
2-[5-(Amino-methyl-propyl-lambda4-sulfanyl)-4-fluorothiophen-2-yl]propan-2-ol
CID 153389688
2-(5-Aminosulfanyl-3-fluorothiophen-2-yl)propan-2-ol
CID 153588730
2-(5-Aminosulfanyl-4-fluoro-2-methylthiophen-3-yl)propan-2-ol
CID 153589999
5-(2-Hydroxypropan-2-yl)thiophene-2-sulfonamide
CID 17842312

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminosulfanyl-2-methylthiophen-3-yl)propan-2-ol?
The IUPAC name of 2-(5-aminosulfanyl-2-methylthiophen-3-yl)propan-2-ol (CID 142522837) is 2-(5-aminosulfanyl-2-methylthiophen-3-yl)propan-2-ol.
What is the SMILES notation for 2-(5-aminosulfanyl-2-methylthiophen-3-yl)propan-2-ol?
The canonical SMILES for 2-(5-aminosulfanyl-2-methylthiophen-3-yl)propan-2-ol is Cc1sc(SN)cc1C(C)(C)O.
What is the InChIKey of 2-(5-aminosulfanyl-2-methylthiophen-3-yl)propan-2-ol?
The InChIKey is PKRSQBYARKPIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS2/c1-5-6(8(2,3)10)4-7(11-5)12-9/h4,10H,9H2,1-3H3.
What are the key properties of 2-(5-aminosulfanyl-2-methylthiophen-3-yl)propan-2-ol?
2-(5-aminosulfanyl-2-methylthiophen-3-yl)propan-2-ol has a molecular weight of 203.33 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminosulfanyl-2-methylthiophen-3-yl)propan-2-ol is sourced from PubChem (CID 142522837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).