2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-N-cyclohexylacetamide

C12H23N3OS — CID 43186296

IUPAC2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-N-cyclohexylacetamide
SMILESCN(CCC(N)=S)CC(=O)NC1CCCCC1
InChIInChI=1S/C12H23N3OS/c1-15(8-7-11(13)17)9-12(16)14-10-5-3-2-4-6-10/h10H,2-9H2,1H3,(H2,13,17)(H,14,16)
InChIKeyLIJUAQOIJWDVRN-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.04
Rot. Bonds6

About 2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-N-cyclohexylacetamide

2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-N-cyclohexylacetamide (PubChem CID 43186296) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is 2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-N-cyclohexylacetamide
PubChem CID43186296
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC Name2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-N-cyclohexylacetamide
SMILESCN(CCC(N)=S)CC(=O)NC1CCCCC1
InChIInChI=1S/C12H23N3OS/c1-15(8-7-11(13)17)9-12(16)14-10-5-3-2-4-6-10/h10H,2-9H2,1H3,(H2,13,17)(H,14,16)
InChIKeyLIJUAQOIJWDVRN-UHFFFAOYSA-N
XLogP1.04
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cycloheptylacetamide
CID 55024099
2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclohexylacetamide
CID 60729940
2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclopentylacetamide
CID 60730257
3-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 60986544
4-[[2-(cycloheptylamino)-2-oxoethyl]-methylamino]butanoic acid
CID 55006417
2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N-cyclohexylacetamide
CID 63285116
3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 60700103
4-amino-N-cyclopentyl-4-sulfanylidenebutanamide
CID 82112394
2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-N-cyclohexylpropanamide
CID 43116824
2-[[3-(cyclohexylamino)-3-oxopropyl]-methylamino]acetic acid
CID 43442622
N-cycloheptyl-2-[5-hydroxypentyl(methyl)amino]acetamide
CID 107204158
1-(3-amino-3-sulfanylidenepropyl)-3-cyclobutyl-1-methylurea
CID 116658284

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-N-cyclohexylacetamide?
The IUPAC name of 2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-N-cyclohexylacetamide (CID 43186296) is 2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-N-cyclohexylacetamide?
The canonical SMILES for 2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-N-cyclohexylacetamide is CN(CCC(N)=S)CC(=O)NC1CCCCC1.
What is the InChIKey of 2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-N-cyclohexylacetamide?
The InChIKey is LIJUAQOIJWDVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-15(8-7-11(13)17)9-12(16)14-10-5-3-2-4-6-10/h10H,2-9H2,1H3,(H2,13,17)(H,14,16).
What are the key properties of 2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-N-cyclohexylacetamide?
2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-N-cyclohexylacetamide has a molecular weight of 257.40 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-N-cyclohexylacetamide is sourced from PubChem (CID 43186296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).