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

C13H25N3OS — CID 43116824

IUPAC2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-N-cyclohexylpropanamide
SMILESCC(C(=O)NC1CCCCC1)N(C)CCC(N)=S
InChIInChI=1S/C13H25N3OS/c1-10(16(2)9-8-12(14)18)13(17)15-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H2,14,18)(H,15,17)
InChIKeyUDPFCSHXEBMXCZ-UHFFFAOYSA-N
MW271.43 g/mol
LogP1.43
Rot. Bonds6

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

2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-N-cyclohexylpropanamide (PubChem CID 43116824) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is 2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-N-cyclohexylpropanamide
PubChem CID43116824
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC Name2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-N-cyclohexylpropanamide
SMILESCC(C(=O)NC1CCCCC1)N(C)CCC(N)=S
InChIInChI=1S/C13H25N3OS/c1-10(16(2)9-8-12(14)18)13(17)15-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H2,14,18)(H,15,17)
InChIKeyUDPFCSHXEBMXCZ-UHFFFAOYSA-N
XLogP1.43
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 51.43
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

3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 60987133
N-cyclohexyl-2-[3-hydroxybutyl(methyl)amino]propanamide
CID 111496931
2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-N-cyclohexylacetamide
CID 43186296
methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 60670343
1-(3-amino-3-sulfanylidenepropyl)-3-cyclobutyl-1-methylurea
CID 116658284
3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]-2-methylpropanoic acid
CID 55007305
4-amino-N-cyclopentyl-4-sulfanylidenebutanamide
CID 82112394
(2R)-2-[2-(4-bromophenoxy)ethyl-methylamino]-N-cyclohexylpropanamide
CID 25494848
2-[2-aminoethyl(cyclobutyl)amino]-N-cyclohexylpropanamide
CID 102875118
2-[2-aminopropyl(methyl)amino]-N-cyclopropylpropanamide
CID 63758992
2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cycloheptylacetamide
CID 55024099
2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclohexylacetamide
CID 60729940

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-N-cyclohexylpropanamide?
The IUPAC name of 2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-N-cyclohexylpropanamide (CID 43116824) is 2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-N-cyclohexylpropanamide.
What is the SMILES notation for 2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-N-cyclohexylpropanamide?
The canonical SMILES for 2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-N-cyclohexylpropanamide is CC(C(=O)NC1CCCCC1)N(C)CCC(N)=S.
What is the InChIKey of 2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-N-cyclohexylpropanamide?
The InChIKey is UDPFCSHXEBMXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-10(16(2)9-8-12(14)18)13(17)15-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H2,14,18)(H,15,17).
What are the key properties of 2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-N-cyclohexylpropanamide?
2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-N-cyclohexylpropanamide has a molecular weight of 271.43 g/mol, XLogP of 1.43, 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-cyclohexylpropanamide is sourced from PubChem (CID 43116824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).