[4-(2,2-dimethylpropylamino)cyclohexyl]-thiomorpholin-4-ylmethanone

C16H30N2OS — CID 75462526

IUPAC[4-(2,2-dimethylpropylamino)cyclohexyl]-thiomorpholin-4-ylmethanone
SMILESCC(C)(C)CNC1CCC(C(=O)N2CCSCC2)CC1
InChIInChI=1S/C16H30N2OS/c1-16(2,3)12-17-14-6-4-13(5-7-14)15(19)18-8-10-20-11-9-18/h13-14,17H,4-12H2,1-3H3
InChIKeySMUOSACGQQQLIB-UHFFFAOYSA-N
MW298.50 g/mol
LogP2.76
Rot. Bonds3

About [4-(2,2-dimethylpropylamino)cyclohexyl]-thiomorpholin-4-ylmethanone

[4-(2,2-dimethylpropylamino)cyclohexyl]-thiomorpholin-4-ylmethanone (PubChem CID 75462526) has the molecular formula C16H30N2OS and a molecular weight of 298.50 g/mol. Its IUPAC name is [4-(2,2-dimethylpropylamino)cyclohexyl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(2,2-dimethylpropylamino)cyclohexyl]-thiomorpholin-4-ylmethanone
PubChem CID75462526
Molecular FormulaC16H30N2OS
Molecular Weight298.50 g/mol
Exact Mass298.21
IUPAC Name[4-(2,2-dimethylpropylamino)cyclohexyl]-thiomorpholin-4-ylmethanone
SMILESCC(C)(C)CNC1CCC(C(=O)N2CCSCC2)CC1
InChIInChI=1S/C16H30N2OS/c1-16(2,3)12-17-14-6-4-13(5-7-14)15(19)18-8-10-20-11-9-18/h13-14,17H,4-12H2,1-3H3
InChIKeySMUOSACGQQQLIB-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2,2-dimethylpropylamino)cyclohexyl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [4-(2,2-dimethylpropylamino)cyclohexyl]-thiomorpholin-4-ylmethanone (CID 75462526) is [4-(2,2-dimethylpropylamino)cyclohexyl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [4-(2,2-dimethylpropylamino)cyclohexyl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [4-(2,2-dimethylpropylamino)cyclohexyl]-thiomorpholin-4-ylmethanone is CC(C)(C)CNC1CCC(C(=O)N2CCSCC2)CC1.
What is the InChIKey of [4-(2,2-dimethylpropylamino)cyclohexyl]-thiomorpholin-4-ylmethanone?
The InChIKey is SMUOSACGQQQLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2OS/c1-16(2,3)12-17-14-6-4-13(5-7-14)15(19)18-8-10-20-11-9-18/h13-14,17H,4-12H2,1-3H3.
What are the key properties of [4-(2,2-dimethylpropylamino)cyclohexyl]-thiomorpholin-4-ylmethanone?
[4-(2,2-dimethylpropylamino)cyclohexyl]-thiomorpholin-4-ylmethanone has a molecular weight of 298.50 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-dimethylpropylamino)cyclohexyl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 75462526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).