4-(Thiomorpholine-4-carbonyl)cyclohexan-1-amine

C11H20N2OS — CID 47003192

IUPAC(4-aminocyclohexyl)-thiomorpholin-4-ylmethanone
SMILESC1CC(CCC1C(=O)N2CCSCC2)N
InChIInChI=1S/C11H20N2OS/c12-10-3-1-9(2-4-10)11(14)13-5-7-15-8-6-13/h9-10H,1-8,12H2
InChIKeyRSHLHEJTFQCQEN-UHFFFAOYSA-N
MW228.36 g/mol
LogP0.40
Rot. Bonds1

About 4-(Thiomorpholine-4-carbonyl)cyclohexan-1-amine

4-(Thiomorpholine-4-carbonyl)cyclohexan-1-amine (PubChem CID 47003192) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is (4-aminocyclohexyl)-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name4-(Thiomorpholine-4-carbonyl)cyclohexan-1-amine
PubChem CID47003192
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name(4-aminocyclohexyl)-thiomorpholin-4-ylmethanone
SMILESC1CC(CCC1C(=O)N2CCSCC2)N
InChIInChI=1S/C11H20N2OS/c12-10-3-1-9(2-4-10)11(14)13-5-7-15-8-6-13/h9-10H,1-8,12H2
InChIKeyRSHLHEJTFQCQEN-UHFFFAOYSA-N
XLogP0.40
TPSA71.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity221

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]azetidine-1-carboxamide
CID 53594027
1-Cyclopentyl-3-[4-(thiomorpholine-4-carbonyl)cyclohexyl]urea
CID 60216204
1-(2,2-Difluoroethyl)-1-methyl-3-[4-(thiomorpholine-4-carbonyl)cyclohexyl]urea
CID 56825746
4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide
CID 113228177
N-cyclopropyl-3-{1-[(methylthio)acetyl]-3-piperidinyl}propanamide
CID 45170071
[4-(2,2-Dimethylpropylamino)cyclohexyl]-thiomorpholin-4-ylmethanone
CID 75462526
tert-butyl N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]carbamate
CID 22591371
(4-Aminocyclohexyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 22591385
(2S)-2-amino-2-cyclohexyl-1-thiomorpholin-4-ylethanone
CID 59996138
trans-(4-Aminocyclohexyl)-piperidin-1-yl-methanone
CID 60846882
(4-Aminocyclohexyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 60847266
[4-(Methylamino)cyclohexyl]-piperidin-1-ylmethanone
CID 83708927

Frequently Asked Questions

What is the IUPAC name of 4-(Thiomorpholine-4-carbonyl)cyclohexan-1-amine?
The IUPAC name of 4-(Thiomorpholine-4-carbonyl)cyclohexan-1-amine (CID 47003192) is (4-aminocyclohexyl)-thiomorpholin-4-ylmethanone.
What is the SMILES notation for 4-(Thiomorpholine-4-carbonyl)cyclohexan-1-amine?
The canonical SMILES for 4-(Thiomorpholine-4-carbonyl)cyclohexan-1-amine is C1CC(CCC1C(=O)N2CCSCC2)N.
What is the InChIKey of 4-(Thiomorpholine-4-carbonyl)cyclohexan-1-amine?
The InChIKey is RSHLHEJTFQCQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c12-10-3-1-9(2-4-10)11(14)13-5-7-15-8-6-13/h9-10H,1-8,12H2.
What are the key properties of 4-(Thiomorpholine-4-carbonyl)cyclohexan-1-amine?
4-(Thiomorpholine-4-carbonyl)cyclohexan-1-amine has a molecular weight of 228.36 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(Thiomorpholine-4-carbonyl)cyclohexan-1-amine is sourced from PubChem (CID 47003192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).