N-(3-amino-3-sulfanylidenepropyl)-2,2-dimethyl-N-propan-2-ylcyclohexane-1-carboxamide

C15H28N2OS — CID 107178691

IUPACN-(3-amino-3-sulfanylidenepropyl)-2,2-dimethyl-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)N(CCC(N)=S)C(=O)C1CCCCC1(C)C
InChIInChI=1S/C15H28N2OS/c1-11(2)17(10-8-13(16)19)14(18)12-7-5-6-9-15(12,3)4/h11-12H,5-10H2,1-4H3,(H2,16,19)
InChIKeyQENFITSRMSKLQP-UHFFFAOYSA-N
MW284.47 g/mol
LogP3.12
Rot. Bonds5

About N-(3-amino-3-sulfanylidenepropyl)-2,2-dimethyl-N-propan-2-ylcyclohexane-1-carboxamide

N-(3-amino-3-sulfanylidenepropyl)-2,2-dimethyl-N-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 107178691) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-2,2-dimethyl-N-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-2,2-dimethyl-N-propan-2-ylcyclohexane-1-carboxamide
PubChem CID107178691
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-2,2-dimethyl-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)N(CCC(N)=S)C(=O)C1CCCCC1(C)C
InChIInChI=1S/C15H28N2OS/c1-11(2)17(10-8-13(16)19)14(18)12-7-5-6-9-15(12,3)4/h11-12H,5-10H2,1-4H3,(H2,16,19)
InChIKeyQENFITSRMSKLQP-UHFFFAOYSA-N
XLogP3.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.12
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

N-(3-amino-3-sulfanylidenepropyl)-1-methyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 106827332
N,N,2,2-tetramethylcyclohexane-1-carboxamide
CID 107180263
N-(2-chloroethyl)-N-cyclopropyl-2,2-dimethylcyclohexane-1-carboxamide
CID 107183873
N-(2-hydroxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide
CID 107180341
N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-yladamantane-2-carboxamide
CID 81100380
(1S)-2,2-dimethylcyclohexane-1-carboxamide
CID 90019535
2,2-dimethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide
CID 107181141
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-propan-2-ylcyclopentanecarboxamide
CID 54996423
N-cyclopropyl-N-(2-hydroxyethyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180319
N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 79155454
N-cyclopentyl-N-(2-hydroxyethyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180339
N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylcyclooctanecarboxamide
CID 77052802

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2,2-dimethyl-N-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2,2-dimethyl-N-propan-2-ylcyclohexane-1-carboxamide (CID 107178691) is N-(3-amino-3-sulfanylidenepropyl)-2,2-dimethyl-N-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-2,2-dimethyl-N-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-2,2-dimethyl-N-propan-2-ylcyclohexane-1-carboxamide is CC(C)N(CCC(N)=S)C(=O)C1CCCCC1(C)C.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-2,2-dimethyl-N-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is QENFITSRMSKLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-11(2)17(10-8-13(16)19)14(18)12-7-5-6-9-15(12,3)4/h11-12H,5-10H2,1-4H3,(H2,16,19).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-2,2-dimethyl-N-propan-2-ylcyclohexane-1-carboxamide?
N-(3-amino-3-sulfanylidenepropyl)-2,2-dimethyl-N-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 284.47 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-2,2-dimethyl-N-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 107178691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).