N-(3-amino-3-sulfanylidenepropyl)-N-[2-(dimethylamino)ethyl]cyclohexanecarboxamide

C14H27N3OS — CID 82104164

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-[2-(dimethylamino)ethyl]cyclohexanecarboxamide
SMILESCN(C)CCN(CCC(N)=S)C(=O)C1CCCCC1
InChIInChI=1S/C14H27N3OS/c1-16(2)10-11-17(9-8-13(15)19)14(18)12-6-4-3-5-7-12/h12H,3-11H2,1-2H3,(H2,15,19)
InChIKeyZMGXWGXKNPQOTI-UHFFFAOYSA-N
MW285.46 g/mol
LogP1.63
Rot. Bonds7

About N-(3-amino-3-sulfanylidenepropyl)-N-[2-(dimethylamino)ethyl]cyclohexanecarboxamide

N-(3-amino-3-sulfanylidenepropyl)-N-[2-(dimethylamino)ethyl]cyclohexanecarboxamide (PubChem CID 82104164) has the molecular formula C14H27N3OS and a molecular weight of 285.46 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-[2-(dimethylamino)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-[2-(dimethylamino)ethyl]cyclohexanecarboxamide
PubChem CID82104164
Molecular FormulaC14H27N3OS
Molecular Weight285.46 g/mol
Exact Mass285.19
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-[2-(dimethylamino)ethyl]cyclohexanecarboxamide
SMILESCN(C)CCN(CCC(N)=S)C(=O)C1CCCCC1
InChIInChI=1S/C14H27N3OS/c1-16(2)10-11-17(9-8-13(15)19)14(18)12-6-4-3-5-7-12/h12H,3-11H2,1-2H3,(H2,15,19)
InChIKeyZMGXWGXKNPQOTI-UHFFFAOYSA-N
XLogP1.63
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-N-propylcyclopropanecarboxamide
CID 82103692
N-(3-amino-3-sulfanylidenepropyl)-N-ethyloxane-4-carboxamide
CID 62906035
N-[2-(dimethylamino)ethyl]-N-methylcyclohexanecarboxamide
CID 110482195
N-(3-acetamidopropyl)-N-(3-amino-3-sulfanylidenepropyl)cyclopropanecarboxamide
CID 82104263
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopentylcyclopropanecarboxamide
CID 82103875
3-[cyclohexanecarbonyl(propyl)amino]propanoic acid
CID 82324168
N-(3-amino-3-sulfanylidenepropyl)-N-(oxolan-2-ylmethyl)cyclopropanecarboxamide
CID 82103957
N-(2-amino-2-hydroxyiminoethyl)-N-ethylcyclohexanecarboxamide
CID 76929305
N-[3-(dimethylamino)propyl]-N-methylcyclohexanecarboxamide
CID 143018860
N-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)oxane-3-carboxamide
CID 55151618
2-[(1-carbamoylpiperidine-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802821
N-(2-amino-2-hydroxyiminoethyl)-N-propylcycloheptanecarboxamide
CID 76947015

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-[2-(dimethylamino)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-[2-(dimethylamino)ethyl]cyclohexanecarboxamide (CID 82104164) is N-(3-amino-3-sulfanylidenepropyl)-N-[2-(dimethylamino)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-[2-(dimethylamino)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-[2-(dimethylamino)ethyl]cyclohexanecarboxamide is CN(C)CCN(CCC(N)=S)C(=O)C1CCCCC1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-[2-(dimethylamino)ethyl]cyclohexanecarboxamide?
The InChIKey is ZMGXWGXKNPQOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3OS/c1-16(2)10-11-17(9-8-13(15)19)14(18)12-6-4-3-5-7-12/h12H,3-11H2,1-2H3,(H2,15,19).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-[2-(dimethylamino)ethyl]cyclohexanecarboxamide?
N-(3-amino-3-sulfanylidenepropyl)-N-[2-(dimethylamino)ethyl]cyclohexanecarboxamide has a molecular weight of 285.46 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N-[2-(dimethylamino)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 82104164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).