N-[(Z)-3,7-diamino-1-methylsulfanylhept-1-en-2-yl]formamide

C9H19N3OS — CID 155028912

IUPACN-[(Z)-3,7-diamino-1-methylsulfanylhept-1-en-2-yl]formamide
SMILESCS/C=C(\NC=O)C(N)CCCCN
InChIInChI=1S/C9H19N3OS/c1-14-6-9(12-7-13)8(11)4-2-3-5-10/h6-8H,2-5,10-11H2,1H3,(H,12,13)/b9-6-
InChIKeyHANZFFYGRRGEGM-TWGQIWQCSA-N
MW217.34 g/mol
LogP0.39
Rot. Bonds8

About N-[(Z)-3,7-diamino-1-methylsulfanylhept-1-en-2-yl]formamide

N-[(Z)-3,7-diamino-1-methylsulfanylhept-1-en-2-yl]formamide (PubChem CID 155028912) has the molecular formula C9H19N3OS and a molecular weight of 217.34 g/mol. Its IUPAC name is N-[(Z)-3,7-diamino-1-methylsulfanylhept-1-en-2-yl]formamide.

Molecular Properties

Compound NameN-[(Z)-3,7-diamino-1-methylsulfanylhept-1-en-2-yl]formamide
PubChem CID155028912
Molecular FormulaC9H19N3OS
Molecular Weight217.34 g/mol
Exact Mass217.12
IUPAC NameN-[(Z)-3,7-diamino-1-methylsulfanylhept-1-en-2-yl]formamide
SMILESCS/C=C(\NC=O)C(N)CCCCN
InChIInChI=1S/C9H19N3OS/c1-14-6-9(12-7-13)8(11)4-2-3-5-10/h6-8H,2-5,10-11H2,1H3,(H,12,13)/b9-6-
InChIKeyHANZFFYGRRGEGM-TWGQIWQCSA-N
XLogP0.39
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(Z)-3,7-diamino-1-methylsulfanylhept-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

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3,7-diamino-1-methylsulfanylhept-1-en-2-yl]formamide?
The IUPAC name of N-[(Z)-3,7-diamino-1-methylsulfanylhept-1-en-2-yl]formamide (CID 155028912) is N-[(Z)-3,7-diamino-1-methylsulfanylhept-1-en-2-yl]formamide.
What is the SMILES notation for N-[(Z)-3,7-diamino-1-methylsulfanylhept-1-en-2-yl]formamide?
The canonical SMILES for N-[(Z)-3,7-diamino-1-methylsulfanylhept-1-en-2-yl]formamide is CS/C=C(\NC=O)C(N)CCCCN.
What is the InChIKey of N-[(Z)-3,7-diamino-1-methylsulfanylhept-1-en-2-yl]formamide?
The InChIKey is HANZFFYGRRGEGM-TWGQIWQCSA-N. The full InChI is InChI=1S/C9H19N3OS/c1-14-6-9(12-7-13)8(11)4-2-3-5-10/h6-8H,2-5,10-11H2,1H3,(H,12,13)/b9-6-.
What are the key properties of N-[(Z)-3,7-diamino-1-methylsulfanylhept-1-en-2-yl]formamide?
N-[(Z)-3,7-diamino-1-methylsulfanylhept-1-en-2-yl]formamide has a molecular weight of 217.34 g/mol, XLogP of 0.39, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3,7-diamino-1-methylsulfanylhept-1-en-2-yl]formamide is sourced from PubChem (CID 155028912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).