N-(2-amino-2-sulfanylideneethyl)-N-cyclopentylazepane-1-carboxamide

C14H25N3OS — CID 79152105

IUPACN-(2-amino-2-sulfanylideneethyl)-N-cyclopentylazepane-1-carboxamide
SMILESNC(=S)CN(C(=O)N1CCCCCC1)C1CCCC1
InChIInChI=1S/C14H25N3OS/c15-13(19)11-17(12-7-3-4-8-12)14(18)16-9-5-1-2-6-10-16/h12H,1-11H2,(H2,15,19)
InChIKeyYKSMTJNOEGIPTG-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.51
Rot. Bonds3

About N-(2-amino-2-sulfanylideneethyl)-N-cyclopentylazepane-1-carboxamide

N-(2-amino-2-sulfanylideneethyl)-N-cyclopentylazepane-1-carboxamide (PubChem CID 79152105) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N-cyclopentylazepane-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N-cyclopentylazepane-1-carboxamide
PubChem CID79152105
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N-cyclopentylazepane-1-carboxamide
SMILESNC(=S)CN(C(=O)N1CCCCCC1)C1CCCC1
InChIInChI=1S/C14H25N3OS/c15-13(19)11-17(12-7-3-4-8-12)14(18)16-9-5-1-2-6-10-16/h12H,1-11H2,(H2,15,19)
InChIKeyYKSMTJNOEGIPTG-UHFFFAOYSA-N
XLogP2.51
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.51
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

methyl 2-[cyclopentyl(piperidine-1-carbonyl)amino]acetate
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2-[cyclopropyl(piperidine-1-carbonyl)amino]acetic acid
CID 61183378
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N-(2-amino-2-sulfanylideneethyl)-N-methylpiperidine-1-carboxamide
CID 79155630
N-(2-aminoethyl)-N-cyclobutylpiperidine-1-carboxamide
CID 102874273
N-(2-amino-2-sulfanylideneethyl)-N-propan-2-ylazepane-1-carboxamide
CID 79152199
N-cycloheptyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113166258
N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylacetamide
CID 113159492
N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 116655125
N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-2-propan-2-yloxyacetamide
CID 112602755
N-(4-aminocyclohexyl)-N-ethylazepane-1-carboxamide
CID 79152914
2-(dicyclohexylamino)-1-pyrrolidin-1-ylethanone
CID 78843214

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N-cyclopentylazepane-1-carboxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N-cyclopentylazepane-1-carboxamide (CID 79152105) is N-(2-amino-2-sulfanylideneethyl)-N-cyclopentylazepane-1-carboxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N-cyclopentylazepane-1-carboxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N-cyclopentylazepane-1-carboxamide is NC(=S)CN(C(=O)N1CCCCCC1)C1CCCC1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N-cyclopentylazepane-1-carboxamide?
The InChIKey is YKSMTJNOEGIPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c15-13(19)11-17(12-7-3-4-8-12)14(18)16-9-5-1-2-6-10-16/h12H,1-11H2,(H2,15,19).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N-cyclopentylazepane-1-carboxamide?
N-(2-amino-2-sulfanylideneethyl)-N-cyclopentylazepane-1-carboxamide has a molecular weight of 283.44 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-N-cyclopentylazepane-1-carboxamide is sourced from PubChem (CID 79152105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).