N-(3-amino-3-sulfanylidenepropyl)-3-[cyclopropylmethyl(ethyl)amino]-N-methylpropanamide

C13H25N3OS — CID 63956602

IUPACN-(3-amino-3-sulfanylidenepropyl)-3-[cyclopropylmethyl(ethyl)amino]-N-methylpropanamide
SMILESCCN(CCC(=O)N(C)CCC(N)=S)CC1CC1
InChIInChI=1S/C13H25N3OS/c1-3-16(10-11-4-5-11)9-7-13(17)15(2)8-6-12(14)18/h11H,3-10H2,1-2H3,(H2,14,18)
InChIKeyCTHNEKZIXSROTO-UHFFFAOYSA-N
MW271.43 g/mol
LogP1.24
Rot. Bonds9

About N-(3-amino-3-sulfanylidenepropyl)-3-[cyclopropylmethyl(ethyl)amino]-N-methylpropanamide

N-(3-amino-3-sulfanylidenepropyl)-3-[cyclopropylmethyl(ethyl)amino]-N-methylpropanamide (PubChem CID 63956602) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-3-[cyclopropylmethyl(ethyl)amino]-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-3-[cyclopropylmethyl(ethyl)amino]-N-methylpropanamide
PubChem CID63956602
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-3-[cyclopropylmethyl(ethyl)amino]-N-methylpropanamide
SMILESCCN(CCC(=O)N(C)CCC(N)=S)CC1CC1
InChIInChI=1S/C13H25N3OS/c1-3-16(10-11-4-5-11)9-7-13(17)15(2)8-6-12(14)18/h11H,3-10H2,1-2H3,(H2,14,18)
InChIKeyCTHNEKZIXSROTO-UHFFFAOYSA-N
XLogP1.24
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-3-[cyclopropylmethyl(ethyl)amino]-N-methylpropanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-3-[cyclopropylmethyl(ethyl)amino]-N-methylpropanamide (CID 63956602) is N-(3-amino-3-sulfanylidenepropyl)-3-[cyclopropylmethyl(ethyl)amino]-N-methylpropanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-3-[cyclopropylmethyl(ethyl)amino]-N-methylpropanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-3-[cyclopropylmethyl(ethyl)amino]-N-methylpropanamide is CCN(CCC(=O)N(C)CCC(N)=S)CC1CC1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-3-[cyclopropylmethyl(ethyl)amino]-N-methylpropanamide?
The InChIKey is CTHNEKZIXSROTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-3-16(10-11-4-5-11)9-7-13(17)15(2)8-6-12(14)18/h11H,3-10H2,1-2H3,(H2,14,18).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-3-[cyclopropylmethyl(ethyl)amino]-N-methylpropanamide?
N-(3-amino-3-sulfanylidenepropyl)-3-[cyclopropylmethyl(ethyl)amino]-N-methylpropanamide has a molecular weight of 271.43 g/mol, XLogP of 1.24, 9 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)-3-[cyclopropylmethyl(ethyl)amino]-N-methylpropanamide is sourced from PubChem (CID 63956602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).