N-[cyclohexyl(methyl)carbamothioyl]cyclohexanecarboxamide

C15H26N2OS — CID 4778356

IUPACN-[cyclohexyl(methyl)carbamothioyl]cyclohexanecarboxamide
SMILESCN(C(=S)NC(=O)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H26N2OS/c1-17(13-10-6-3-7-11-13)15(19)16-14(18)12-8-4-2-5-9-12/h12-13H,2-11H2,1H3,(H,16,18,19)
InChIKeyKEHDTXMBSZFYIT-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.23
Rot. Bonds2

About N-[cyclohexyl(methyl)carbamothioyl]cyclohexanecarboxamide

N-[cyclohexyl(methyl)carbamothioyl]cyclohexanecarboxamide (PubChem CID 4778356) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is N-[cyclohexyl(methyl)carbamothioyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[cyclohexyl(methyl)carbamothioyl]cyclohexanecarboxamide
PubChem CID4778356
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC NameN-[cyclohexyl(methyl)carbamothioyl]cyclohexanecarboxamide
SMILESCN(C(=S)NC(=O)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H26N2OS/c1-17(13-10-6-3-7-11-13)15(19)16-14(18)12-8-4-2-5-9-12/h12-13H,2-11H2,1H3,(H,16,18,19)
InChIKeyKEHDTXMBSZFYIT-UHFFFAOYSA-N
XLogP3.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-cycloheptyl-1,3-dimethylthiourea
CID 115576089
3-amino-1-cyclopentyl-1-methylthiourea
CID 19847577
3-chloro-N-[cyclohexyl(methyl)carbamothioyl]benzamide
CID 4940486
N-[cyclohexyl(methyl)carbamothioyl]-4-nitrobenzamide
CID 4923278
1-cycloheptyl-1-methyl-3-(2-methylpropyl)thiourea
CID 115576097
1-cyclobutyl-1,3-dimethylurea
CID 66861755
N-cycloheptyl-N-methylcarbamothioyl chloride
CID 21434274
1-cyclooctyl-1-methylurea
CID 126989312
potassium N-cyclohexyl-N-methylcarbamodithioate
CID 139703213
N-[(E)-but-2-en-2-yl]cyclohexanecarboxamide
CID 23629184
3-butyl-1-cyclohexyl-1-methylthiourea
CID 43835938
N-cycloheptyl-N-methyl-2-(methylamino)propanamide
CID 62637285

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(methyl)carbamothioyl]cyclohexanecarboxamide?
The IUPAC name of N-[cyclohexyl(methyl)carbamothioyl]cyclohexanecarboxamide (CID 4778356) is N-[cyclohexyl(methyl)carbamothioyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[cyclohexyl(methyl)carbamothioyl]cyclohexanecarboxamide?
The canonical SMILES for N-[cyclohexyl(methyl)carbamothioyl]cyclohexanecarboxamide is CN(C(=S)NC(=O)C1CCCCC1)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl(methyl)carbamothioyl]cyclohexanecarboxamide?
The InChIKey is KEHDTXMBSZFYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-17(13-10-6-3-7-11-13)15(19)16-14(18)12-8-4-2-5-9-12/h12-13H,2-11H2,1H3,(H,16,18,19).
What are the key properties of N-[cyclohexyl(methyl)carbamothioyl]cyclohexanecarboxamide?
N-[cyclohexyl(methyl)carbamothioyl]cyclohexanecarboxamide has a molecular weight of 282.45 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(methyl)carbamothioyl]cyclohexanecarboxamide is sourced from PubChem (CID 4778356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).