N-(2-methyl-2-thiophen-2-ylpropyl)-1-oxothian-4-amine

C13H21NOS2 — CID 80526167

IUPACN-(2-methyl-2-thiophen-2-ylpropyl)-1-oxothian-4-amine
SMILESCC(C)(CNC1CCS(=O)CC1)c1cccs1
InChIInChI=1S/C13H21NOS2/c1-13(2,12-4-3-7-16-12)10-14-11-5-8-17(15)9-6-11/h3-4,7,11,14H,5-6,8-10H2,1-2H3
InChIKeyIUDFSSHLSVMMPG-UHFFFAOYSA-N
MW271.45 g/mol
LogP2.53
Rot. Bonds4

About N-(2-methyl-2-thiophen-2-ylpropyl)-1-oxothian-4-amine

N-(2-methyl-2-thiophen-2-ylpropyl)-1-oxothian-4-amine (PubChem CID 80526167) has the molecular formula C13H21NOS2 and a molecular weight of 271.45 g/mol. Its IUPAC name is N-(2-methyl-2-thiophen-2-ylpropyl)-1-oxothian-4-amine.

Molecular Properties

Compound NameN-(2-methyl-2-thiophen-2-ylpropyl)-1-oxothian-4-amine
PubChem CID80526167
Molecular FormulaC13H21NOS2
Molecular Weight271.45 g/mol
Exact Mass271.11
IUPAC NameN-(2-methyl-2-thiophen-2-ylpropyl)-1-oxothian-4-amine
SMILESCC(C)(CNC1CCS(=O)CC1)c1cccs1
InChIInChI=1S/C13H21NOS2/c1-13(2,12-4-3-7-16-12)10-14-11-5-8-17(15)9-6-11/h3-4,7,11,14H,5-6,8-10H2,1-2H3
InChIKeyIUDFSSHLSVMMPG-UHFFFAOYSA-N
XLogP2.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-2-thiophen-2-ylpropyl)piperidin-4-amine
CID 80526034
N-(2-methyl-2-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine
CID 114817785
4-(2-methylbutan-2-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 80526485
3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine
CID 104859799
N-(2-methyl-2-thiophen-2-ylpropyl)-1,1-dioxothiolan-3-amine
CID 80526202
1-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)azepan-4-amine
CID 80526251
3,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine
CID 80706060
3-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 80527427
1,2-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)piperidin-4-amine
CID 81344411
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]cyclohexan-1-ol
CID 80526507
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]cyclopentan-1-ol
CID 80526295
2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)oxolan-3-amine
CID 115338696

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-thiophen-2-ylpropyl)-1-oxothian-4-amine?
The IUPAC name of N-(2-methyl-2-thiophen-2-ylpropyl)-1-oxothian-4-amine (CID 80526167) is N-(2-methyl-2-thiophen-2-ylpropyl)-1-oxothian-4-amine.
What is the SMILES notation for N-(2-methyl-2-thiophen-2-ylpropyl)-1-oxothian-4-amine?
The canonical SMILES for N-(2-methyl-2-thiophen-2-ylpropyl)-1-oxothian-4-amine is CC(C)(CNC1CCS(=O)CC1)c1cccs1.
What is the InChIKey of N-(2-methyl-2-thiophen-2-ylpropyl)-1-oxothian-4-amine?
The InChIKey is IUDFSSHLSVMMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS2/c1-13(2,12-4-3-7-16-12)10-14-11-5-8-17(15)9-6-11/h3-4,7,11,14H,5-6,8-10H2,1-2H3.
What are the key properties of N-(2-methyl-2-thiophen-2-ylpropyl)-1-oxothian-4-amine?
N-(2-methyl-2-thiophen-2-ylpropyl)-1-oxothian-4-amine has a molecular weight of 271.45 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-thiophen-2-ylpropyl)-1-oxothian-4-amine is sourced from PubChem (CID 80526167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).