N-[(Z)-3-amino-1-methylsulfanyloct-1-en-2-yl]formamide

C10H20N2OS — CID 155028797

IUPACN-[(Z)-3-amino-1-methylsulfanyloct-1-en-2-yl]formamide
SMILESCCCCCC(N)/C(=C/SC)NC=O
InChIInChI=1S/C10H20N2OS/c1-3-4-5-6-9(11)10(7-14-2)12-8-13/h7-9H,3-6,11H2,1-2H3,(H,12,13)/b10-7-
InChIKeyAZKFWEJGXAGMAR-YFHOEESVSA-N
MW216.35 g/mol
LogP1.84
Rot. Bonds8

About N-[(Z)-3-amino-1-methylsulfanyloct-1-en-2-yl]formamide

N-[(Z)-3-amino-1-methylsulfanyloct-1-en-2-yl]formamide (PubChem CID 155028797) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is N-[(Z)-3-amino-1-methylsulfanyloct-1-en-2-yl]formamide.

Molecular Properties

Compound NameN-[(Z)-3-amino-1-methylsulfanyloct-1-en-2-yl]formamide
PubChem CID155028797
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC NameN-[(Z)-3-amino-1-methylsulfanyloct-1-en-2-yl]formamide
SMILESCCCCCC(N)/C(=C/SC)NC=O
InChIInChI=1S/C10H20N2OS/c1-3-4-5-6-9(11)10(7-14-2)12-8-13/h7-9H,3-6,11H2,1-2H3,(H,12,13)/b10-7-
InChIKeyAZKFWEJGXAGMAR-YFHOEESVSA-N
XLogP1.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(Z)-3-amino-1-methylsulfanyloct-1-en-2-yl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-amino-2-methylnonan-3-one
CID 89254495
2-aminoheptanethioamide
CID 54382864
methyl (2S)-2-aminotridecanoate
CID 88583666
methyl 2-aminononadecanoate
CID 140839745
methyl 2-aminoheptadecanoate
CID 140839752
3-aminooctan-2-one;hydrochloride
CID 13478908
2-aminotetracosanoic acid
CID 88730229
(2S)-2-aminopentacosanoic acid
CID 158815459
(2S)-2-aminododecanoic acid
CID 10560640
2-amino-N-methyltetradecanamide
CID 88912425
4-aminononadec-1-en-3-one
CID 141408197
4-aminotridec-1-en-3-one
CID 168863817

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-amino-1-methylsulfanyloct-1-en-2-yl]formamide?
The IUPAC name of N-[(Z)-3-amino-1-methylsulfanyloct-1-en-2-yl]formamide (CID 155028797) is N-[(Z)-3-amino-1-methylsulfanyloct-1-en-2-yl]formamide.
What is the SMILES notation for N-[(Z)-3-amino-1-methylsulfanyloct-1-en-2-yl]formamide?
The canonical SMILES for N-[(Z)-3-amino-1-methylsulfanyloct-1-en-2-yl]formamide is CCCCCC(N)/C(=C/SC)NC=O.
What is the InChIKey of N-[(Z)-3-amino-1-methylsulfanyloct-1-en-2-yl]formamide?
The InChIKey is AZKFWEJGXAGMAR-YFHOEESVSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-3-4-5-6-9(11)10(7-14-2)12-8-13/h7-9H,3-6,11H2,1-2H3,(H,12,13)/b10-7-.
What are the key properties of N-[(Z)-3-amino-1-methylsulfanyloct-1-en-2-yl]formamide?
N-[(Z)-3-amino-1-methylsulfanyloct-1-en-2-yl]formamide has a molecular weight of 216.35 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-amino-1-methylsulfanyloct-1-en-2-yl]formamide is sourced from PubChem (CID 155028797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).