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

C14H26N2OS — CID 106827332

IUPACN-(3-amino-3-sulfanylidenepropyl)-1-methyl-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)N(CCC(N)=S)C(=O)C1(C)CCCCC1
InChIInChI=1S/C14H26N2OS/c1-11(2)16(10-7-12(15)18)13(17)14(3)8-5-4-6-9-14/h11H,4-10H2,1-3H3,(H2,15,18)
InChIKeyQRVYSVXOGCNVHV-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.87
Rot. Bonds5

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

N-(3-amino-3-sulfanylidenepropyl)-1-methyl-N-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 106827332) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-1-methyl-N-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-1-methyl-N-propan-2-ylcyclohexane-1-carboxamide
PubChem CID106827332
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-1-methyl-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)N(CCC(N)=S)C(=O)C1(C)CCCCC1
InChIInChI=1S/C14H26N2OS/c1-11(2)16(10-7-12(15)18)13(17)14(3)8-5-4-6-9-14/h11H,4-10H2,1-3H3,(H2,15,18)
InChIKeyQRVYSVXOGCNVHV-UHFFFAOYSA-N
XLogP2.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.87
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)-N-ethyl-1-methylcyclohexane-1-carboxamide
CID 106827331
N-(3-amino-3-sulfanylidenepropyl)-2,2-dimethyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 107178691
N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 79155454
3-[(1-aminocyclohexanecarbonyl)-propan-2-ylamino]propanoic acid
CID 61161466
N-(3-amino-3-sulfanylidenepropyl)-1-methylcyclohexane-1-carboxamide
CID 106827346
N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-yl-2-propan-2-yloxyacetamide
CID 112602687
N,1-dimethyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 128925463
N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-yladamantane-2-carboxamide
CID 81100380
1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 106828147
3-[(2-oxo-2-pyrrolidin-1-ylethyl)-propan-2-ylamino]propanethioamide
CID 54996516
3-[piperidin-1-ylsulfonyl(propan-2-yl)amino]propanethioamide
CID 54998000
N-(2-amino-2-hydroxyiminoethyl)-N,1-dimethylcyclohexane-1-carboxamide
CID 106828686

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-1-methyl-N-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-1-methyl-N-propan-2-ylcyclohexane-1-carboxamide (CID 106827332) is N-(3-amino-3-sulfanylidenepropyl)-1-methyl-N-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-1-methyl-N-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-1-methyl-N-propan-2-ylcyclohexane-1-carboxamide is CC(C)N(CCC(N)=S)C(=O)C1(C)CCCCC1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-1-methyl-N-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is QRVYSVXOGCNVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-11(2)16(10-7-12(15)18)13(17)14(3)8-5-4-6-9-14/h11H,4-10H2,1-3H3,(H2,15,18).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-1-methyl-N-propan-2-ylcyclohexane-1-carboxamide?
N-(3-amino-3-sulfanylidenepropyl)-1-methyl-N-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 270.44 g/mol, XLogP of 2.87, 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)-1-methyl-N-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 106827332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).