CID 59926900

C6H10BN3OS — CID 59926900

IUPAC—
SMILES[B]C(=O)N[C@@H]1C[C@@H](CN)NC1=S
InChIInChI=1S/C6H10BN3OS/c7-6(11)10-4-1-3(2-8)9-5(4)12/h3-4H,1-2,8H2,(H,9,12)(H,10,11)/t3-,4+/m0/s1
InChIKeyGVLOJGJYELJFQL-IUYQGCFVSA-N
MW183.05 g/mol
LogP-1.12
Rot. Bonds2

About CID 59926900

CID 59926900 (PubChem CID 59926900) has the molecular formula C6H10BN3OS and a molecular weight of 183.05 g/mol.

Molecular Properties

Compound NameCID 59926900
PubChem CID59926900
Molecular FormulaC6H10BN3OS
Molecular Weight183.05 g/mol
Exact Mass183.06
IUPAC Name—
SMILES[B]C(=O)N[C@@H]1C[C@@H](CN)NC1=S
InChIInChI=1S/C6H10BN3OS/c7-6(11)10-4-1-3(2-8)9-5(4)12/h3-4H,1-2,8H2,(H,9,12)(H,10,11)/t3-,4+/m0/s1
InChIKeyGVLOJGJYELJFQL-IUYQGCFVSA-N
XLogP-1.12
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.05
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 59926900 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

CID 59927041
CID 59927041
CID 59926489
CID 59926489
(5S)-5-(aminomethyl)pyrrolidin-2-one;hydrochloride
CID 86767658
4-amino-N-(thian-4-yl)butanamide;hydrochloride
CID 119313242
(2S,5R)-5-(aminomethyl)-N-(3,5-dimethylcyclohexyl)oxolane-2-carboxamide;hydrochloride
CID 120793763
2-(aminomethyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 78144501
[(1R,2S)-2-(aminomethyl)cyclohexyl]carbamic acid
CID 124566827
[(1S,2R)-2-(aminomethyl)cyclohexyl]carbamic acid
CID 124566826
N-[(1R,3S)-3-(aminomethyl)cyclopentyl]cyclopentanecarboxamide
CID 178190623
2-(aminomethyl)-N-(3,5-dimethylcyclohexyl)butanamide
CID 64731906
methyl 3-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride
CID 154562144
N-[(1S,3R)-3-(aminomethyl)cyclopentyl]cyclohexanecarboxamide
CID 165448057

Frequently Asked Questions

What is the IUPAC name of CID 59926900?
The IUPAC name of CID 59926900 (CID 59926900) is not available.
What is the SMILES notation for CID 59926900?
The canonical SMILES for CID 59926900 is [B]C(=O)N[C@@H]1C[C@@H](CN)NC1=S.
What is the InChIKey of CID 59926900?
The InChIKey is GVLOJGJYELJFQL-IUYQGCFVSA-N. The full InChI is InChI=1S/C6H10BN3OS/c7-6(11)10-4-1-3(2-8)9-5(4)12/h3-4H,1-2,8H2,(H,9,12)(H,10,11)/t3-,4+/m0/s1.
What are the key properties of CID 59926900?
CID 59926900 has a molecular weight of 183.05 g/mol, XLogP of -1.12, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59926900 is sourced from PubChem (CID 59926900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).