N-[[1-(dimethylamino)cyclohexyl]methyl]-1-oxothian-4-amine

C14H28N2OS — CID 54981606

IUPACN-[[1-(dimethylamino)cyclohexyl]methyl]-1-oxothian-4-amine
SMILESCN(C)C1(CNC2CCS(=O)CC2)CCCCC1
InChIInChI=1S/C14H28N2OS/c1-16(2)14(8-4-3-5-9-14)12-15-13-6-10-18(17)11-7-13/h13,15H,3-12H2,1-2H3
InChIKeyWUFHQVXMDLRHKK-UHFFFAOYSA-N
MW272.46 g/mol
LogP1.75
Rot. Bonds4

About N-[[1-(dimethylamino)cyclohexyl]methyl]-1-oxothian-4-amine

N-[[1-(dimethylamino)cyclohexyl]methyl]-1-oxothian-4-amine (PubChem CID 54981606) has the molecular formula C14H28N2OS and a molecular weight of 272.46 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclohexyl]methyl]-1-oxothian-4-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclohexyl]methyl]-1-oxothian-4-amine
PubChem CID54981606
Molecular FormulaC14H28N2OS
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC NameN-[[1-(dimethylamino)cyclohexyl]methyl]-1-oxothian-4-amine
SMILESCN(C)C1(CNC2CCS(=O)CC2)CCCCC1
InChIInChI=1S/C14H28N2OS/c1-16(2)14(8-4-3-5-9-14)12-15-13-6-10-18(17)11-7-13/h13,15H,3-12H2,1-2H3
InChIKeyWUFHQVXMDLRHKK-UHFFFAOYSA-N
XLogP1.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-1-oxothian-4-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-1-oxothian-4-amine (CID 54981606) is N-[[1-(dimethylamino)cyclohexyl]methyl]-1-oxothian-4-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclohexyl]methyl]-1-oxothian-4-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclohexyl]methyl]-1-oxothian-4-amine is CN(C)C1(CNC2CCS(=O)CC2)CCCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclohexyl]methyl]-1-oxothian-4-amine?
The InChIKey is WUFHQVXMDLRHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS/c1-16(2)14(8-4-3-5-9-14)12-15-13-6-10-18(17)11-7-13/h13,15H,3-12H2,1-2H3.
What are the key properties of N-[[1-(dimethylamino)cyclohexyl]methyl]-1-oxothian-4-amine?
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-oxothian-4-amine has a molecular weight of 272.46 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclohexyl]methyl]-1-oxothian-4-amine is sourced from PubChem (CID 54981606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).