N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide

C16H30N2OS — CID 62718713

IUPACN-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
SMILESCCC(C)(NC(=O)C1CCC(C(C)(C)C)CC1)C(N)=S
InChIInChI=1S/C16H30N2OS/c1-6-16(5,14(17)20)18-13(19)11-7-9-12(10-8-11)15(2,3)4/h11-12H,6-10H2,1-5H3,(H2,17,20)(H,18,19)
InChIKeyCDYGRPILAMCGMO-UHFFFAOYSA-N
MW298.50 g/mol
LogP3.41
Rot. Bonds4

About N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide

N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide (PubChem CID 62718713) has the molecular formula C16H30N2OS and a molecular weight of 298.50 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
PubChem CID62718713
Molecular FormulaC16H30N2OS
Molecular Weight298.50 g/mol
Exact Mass298.21
IUPAC NameN-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
SMILESCCC(C)(NC(=O)C1CCC(C(C)(C)C)CC1)C(N)=S
InChIInChI=1S/C16H30N2OS/c1-6-16(5,14(17)20)18-13(19)11-7-9-12(10-8-11)15(2,3)4/h11-12H,6-10H2,1-5H3,(H2,17,20)(H,18,19)
InChIKeyCDYGRPILAMCGMO-UHFFFAOYSA-N
XLogP3.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)cyclopentanecarboxamide
CID 61119214
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475556
N-(1-amino-1-sulfanylidenebutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 62718554
N-(1-bromo-3-methylpentan-3-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 106169068
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-cyclopentylpropanamide
CID 61121156
4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)cyclohexane-1-carboxamide
CID 115968764
N-(1-amino-2-methylbutan-2-yl)cyclopropanecarboxamide
CID 64551544
N-(1-amino-1-hydroxyiminopentan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 76948332
N-[1-(2-aminocyclooctyl)-2-methyl-1-oxobutan-2-yl]cyclooctanecarboxamide
CID 123758150
N-(1-aminobutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 63755182
N-(1-amino-1-hydroxyiminopropan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 76948330
methyl (2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]propanoate
CID 113257909

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide?
The IUPAC name of N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide (CID 62718713) is N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide?
The canonical SMILES for N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide is CCC(C)(NC(=O)C1CCC(C(C)(C)C)CC1)C(N)=S.
What is the InChIKey of N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide?
The InChIKey is CDYGRPILAMCGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2OS/c1-6-16(5,14(17)20)18-13(19)11-7-9-12(10-8-11)15(2,3)4/h11-12H,6-10H2,1-5H3,(H2,17,20)(H,18,19).
What are the key properties of N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide?
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide has a molecular weight of 298.50 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide is sourced from PubChem (CID 62718713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).