N,3-dimethyl-1-(thian-2-yl)butan-1-amine

C11H23NS — CID 80627563

IUPACN,3-dimethyl-1-(thian-2-yl)butan-1-amine
SMILESCNC(CC(C)C)C1CCCCS1
InChIInChI=1S/C11H23NS/c1-9(2)8-10(12-3)11-6-4-5-7-13-11/h9-12H,4-8H2,1-3H3
InChIKeyXANFKVUADYMBDI-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.91
Rot. Bonds4

About N,3-dimethyl-1-(thian-2-yl)butan-1-amine

N,3-dimethyl-1-(thian-2-yl)butan-1-amine (PubChem CID 80627563) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is N,3-dimethyl-1-(thian-2-yl)butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-(thian-2-yl)butan-1-amine
PubChem CID80627563
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC NameN,3-dimethyl-1-(thian-2-yl)butan-1-amine
SMILESCNC(CC(C)C)C1CCCCS1
InChIInChI=1S/C11H23NS/c1-9(2)8-10(12-3)11-6-4-5-7-13-11/h9-12H,4-8H2,1-3H3
InChIKeyXANFKVUADYMBDI-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-N-methyl-1-(thian-2-yl)ethanamine
CID 80626908
5-methyl-N-propyl-1-(thian-2-yl)hexan-1-amine
CID 83161177
N-methyl-1-(thiolan-2-yl)butan-1-amine
CID 80621526
1-cyclobutyl-N,3-dimethylbutan-1-amine
CID 64986919
N-methyl-3-methylidene-1-(thiolan-2-yl)pentan-1-amine
CID 80621672
3-methyl-1-(thian-2-yl)pentan-1-ol
CID 80621983
(1S)-1-(thian-2-yl)ethanamine
CID 104932067
1-(thian-2-yl)nonylhydrazine
CID 105255737
3-methyl-N-propyl-1-(thiolan-2-yl)hexan-1-amine
CID 80627756
N-methyl-2-(3-methylphenyl)-1-(thian-2-yl)ethanamine
CID 80627266
3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(thian-2-yl)propan-1-amine
CID 80627138
4,4,4-trifluoro-N-propyl-1-(thian-2-yl)butan-1-amine
CID 80626408

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-(thian-2-yl)butan-1-amine?
The IUPAC name of N,3-dimethyl-1-(thian-2-yl)butan-1-amine (CID 80627563) is N,3-dimethyl-1-(thian-2-yl)butan-1-amine.
What is the SMILES notation for N,3-dimethyl-1-(thian-2-yl)butan-1-amine?
The canonical SMILES for N,3-dimethyl-1-(thian-2-yl)butan-1-amine is CNC(CC(C)C)C1CCCCS1.
What is the InChIKey of N,3-dimethyl-1-(thian-2-yl)butan-1-amine?
The InChIKey is XANFKVUADYMBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-9(2)8-10(12-3)11-6-4-5-7-13-11/h9-12H,4-8H2,1-3H3.
What are the key properties of N,3-dimethyl-1-(thian-2-yl)butan-1-amine?
N,3-dimethyl-1-(thian-2-yl)butan-1-amine has a molecular weight of 201.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-(thian-2-yl)butan-1-amine is sourced from PubChem (CID 80627563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).