N-(3-amino-3-sulfanylidenepropyl)cyclohexanecarboxamide

C10H18N2OS — CID 62665924

IUPACN-(3-amino-3-sulfanylidenepropyl)cyclohexanecarboxamide
SMILESNC(=S)CCNC(=O)C1CCCCC1
InChIInChI=1S/C10H18N2OS/c11-9(14)6-7-12-10(13)8-4-2-1-3-5-8/h8H,1-7H2,(H2,11,14)(H,12,13)
InChIKeyXQEQVQQYEWFTOJ-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.36
Rot. Bonds4

About N-(3-amino-3-sulfanylidenepropyl)cyclohexanecarboxamide

N-(3-amino-3-sulfanylidenepropyl)cyclohexanecarboxamide (PubChem CID 62665924) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)cyclohexanecarboxamide
PubChem CID62665924
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)cyclohexanecarboxamide
SMILESNC(=S)CCNC(=O)C1CCCCC1
InChIInChI=1S/C10H18N2OS/c11-9(14)6-7-12-10(13)8-4-2-1-3-5-8/h8H,1-7H2,(H2,11,14)(H,12,13)
InChIKeyXQEQVQQYEWFTOJ-UHFFFAOYSA-N
XLogP1.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.36
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-(3-amino-3-sulfanylidenepropyl)oxane-3-carboxamide
CID 63014889
N-(2-amino-2-sulfanylideneethyl)cyclooctanecarboxamide
CID 65018324
N-(3-hydrazinyl-3-oxopropyl)cyclopentanecarboxamide
CID 43348493
N-(3-amino-3-sulfanylidenepropyl)oxane-2-carboxamide
CID 62667262
N-(3-aminopropyl)cyclohexanecarboxamide
CID 24699018
N-propylcyclooctanecarboxamide
CID 65022755
N-(4-iodobutyl)cyclooctanecarboxamide
CID 106846142
N-(5-amino-5-hydroxyiminopentyl)cyclooctanecarboxamide
CID 77052783
N-propylcyclohexanecarboxamide;hydrochloride
CID 174790388
N-[3-[(1-hydroxycyclobutyl)methylamino]-3-oxopropyl]cyclohexanecarboxamide
CID 111445220
7-(cyclooctanecarbonylamino)heptanoic acid
CID 65019467
prop-2-ynyl 3-(cyclopentanecarbonylamino)propanoate
CID 71895695

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)cyclohexanecarboxamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)cyclohexanecarboxamide (CID 62665924) is N-(3-amino-3-sulfanylidenepropyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)cyclohexanecarboxamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)cyclohexanecarboxamide is NC(=S)CCNC(=O)C1CCCCC1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)cyclohexanecarboxamide?
The InChIKey is XQEQVQQYEWFTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c11-9(14)6-7-12-10(13)8-4-2-1-3-5-8/h8H,1-7H2,(H2,11,14)(H,12,13).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)cyclohexanecarboxamide?
N-(3-amino-3-sulfanylidenepropyl)cyclohexanecarboxamide has a molecular weight of 214.33 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)cyclohexanecarboxamide is sourced from PubChem (CID 62665924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).