1-oxo-N-(thiophen-3-ylmethyl)thian-4-amine

C10H15NOS2 — CID 63248071

IUPAC1-oxo-N-(thiophen-3-ylmethyl)thian-4-amine
SMILESO=S1CCC(NCc2ccsc2)CC1
InChIInChI=1S/C10H15NOS2/c12-14-5-2-10(3-6-14)11-7-9-1-4-13-8-9/h1,4,8,10-11H,2-3,5-7H2
InChIKeyVLTNTIJFRZSPGQ-UHFFFAOYSA-N
MW229.37 g/mol
LogP1.75
Rot. Bonds3

About 1-oxo-N-(thiophen-3-ylmethyl)thian-4-amine

1-oxo-N-(thiophen-3-ylmethyl)thian-4-amine (PubChem CID 63248071) has the molecular formula C10H15NOS2 and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-oxo-N-(thiophen-3-ylmethyl)thian-4-amine.

Molecular Properties

Compound Name1-oxo-N-(thiophen-3-ylmethyl)thian-4-amine
PubChem CID63248071
Molecular FormulaC10H15NOS2
Molecular Weight229.37 g/mol
Exact Mass229.06
IUPAC Name1-oxo-N-(thiophen-3-ylmethyl)thian-4-amine
SMILESO=S1CCC(NCc2ccsc2)CC1
InChIInChI=1S/C10H15NOS2/c12-14-5-2-10(3-6-14)11-7-9-1-4-13-8-9/h1,4,8,10-11H,2-3,5-7H2
InChIKeyVLTNTIJFRZSPGQ-UHFFFAOYSA-N
XLogP1.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-propan-2-yl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine
CID 63247711
N-(thiophen-3-ylmethyl)piperidin-3-amine
CID 63248070
3-methylsulfanyl-N-(thiophen-3-ylmethyl)cyclopentan-1-amine
CID 115656335
N-[(4-chloro-3-fluorophenyl)methyl]-1-oxothian-4-amine
CID 113479791
3-(4-methylphenyl)-N-(thiophen-3-ylmethyl)cyclobutan-1-amine
CID 55174100
3-[(2-methylpropan-2-yl)oxy]-N-(thiophen-3-ylmethyl)cyclobutan-1-amine
CID 115970469
1-cycloheptyl-4-(thiophen-3-ylmethylamino)pyrrolidin-2-one
CID 45219735
2,2-dimethyl-N-(thiophen-3-ylmethyl)cyclobutan-1-amine
CID 126979225
1-[(2R)-4-aminobutan-2-yl]-N-(thiophen-3-ylmethyl)piperidin-4-amine;hydrochloride
CID 71743675
2-[cyclopropylmethyl-[3-(thiophen-3-ylmethylamino)cyclobutyl]amino]acetic acid
CID 122041559
1-benzyl-N-(thiophen-3-ylmethyl)pyrrolidin-3-amine
CID 43223638
5-[(cyclopropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106961019

Frequently Asked Questions

What is the IUPAC name of 1-oxo-N-(thiophen-3-ylmethyl)thian-4-amine?
The IUPAC name of 1-oxo-N-(thiophen-3-ylmethyl)thian-4-amine (CID 63248071) is 1-oxo-N-(thiophen-3-ylmethyl)thian-4-amine.
What is the SMILES notation for 1-oxo-N-(thiophen-3-ylmethyl)thian-4-amine?
The canonical SMILES for 1-oxo-N-(thiophen-3-ylmethyl)thian-4-amine is O=S1CCC(NCc2ccsc2)CC1.
What is the InChIKey of 1-oxo-N-(thiophen-3-ylmethyl)thian-4-amine?
The InChIKey is VLTNTIJFRZSPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS2/c12-14-5-2-10(3-6-14)11-7-9-1-4-13-8-9/h1,4,8,10-11H,2-3,5-7H2.
What are the key properties of 1-oxo-N-(thiophen-3-ylmethyl)thian-4-amine?
1-oxo-N-(thiophen-3-ylmethyl)thian-4-amine has a molecular weight of 229.37 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-N-(thiophen-3-ylmethyl)thian-4-amine is sourced from PubChem (CID 63248071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).