(2S)-2-amino-4-methylpentan-1-ol;sulfamide

C6H19N3O3S — CID 87947819

IUPAC(2S)-2-amino-4-methylpentan-1-ol;sulfamide
SMILESCC(C)C[C@H](N)CO.NS(N)(=O)=O
InChIInChI=1S/C6H15NO.H4N2O2S/c1-5(2)3-6(7)4-8;1-5(2,3)4/h5-6,8H,3-4,7H2,1-2H3;(H4,1,2,3,4)/t6-;/m0./s1
InChIKeyPRGYZCXJZROXEZ-RGMNGODLSA-N
MW213.30 g/mol
LogP-1.50
Rot. Bonds3

About (2S)-2-amino-4-methylpentan-1-ol;sulfamide

(2S)-2-amino-4-methylpentan-1-ol;sulfamide (PubChem CID 87947819) has the molecular formula C6H19N3O3S and a molecular weight of 213.30 g/mol. Its IUPAC name is (2S)-2-amino-4-methylpentan-1-ol;sulfamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methylpentan-1-ol;sulfamide
PubChem CID87947819
Molecular FormulaC6H19N3O3S
Molecular Weight213.30 g/mol
Exact Mass213.11
IUPAC Name(2S)-2-amino-4-methylpentan-1-ol;sulfamide
SMILESCC(C)C[C@H](N)CO.NS(N)(=O)=O
InChIInChI=1S/C6H15NO.H4N2O2S/c1-5(2)3-6(7)4-8;1-5(2,3)4/h5-6,8H,3-4,7H2,1-2H3;(H4,1,2,3,4)/t6-;/m0./s1
InChIKeyPRGYZCXJZROXEZ-RGMNGODLSA-N
XLogP-1.50
TPSA132.43 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 5-1.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-4-methylpentan-1-ol;sulfamide 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 (2S)-2-amino-4-methylpentan-1-ol;sulfamide?
The IUPAC name of (2S)-2-amino-4-methylpentan-1-ol;sulfamide (CID 87947819) is (2S)-2-amino-4-methylpentan-1-ol;sulfamide.
What is the SMILES notation for (2S)-2-amino-4-methylpentan-1-ol;sulfamide?
The canonical SMILES for (2S)-2-amino-4-methylpentan-1-ol;sulfamide is CC(C)C[C@H](N)CO.NS(N)(=O)=O.
What is the InChIKey of (2S)-2-amino-4-methylpentan-1-ol;sulfamide?
The InChIKey is PRGYZCXJZROXEZ-RGMNGODLSA-N. The full InChI is InChI=1S/C6H15NO.H4N2O2S/c1-5(2)3-6(7)4-8;1-5(2,3)4/h5-6,8H,3-4,7H2,1-2H3;(H4,1,2,3,4)/t6-;/m0./s1.
What are the key properties of (2S)-2-amino-4-methylpentan-1-ol;sulfamide?
(2S)-2-amino-4-methylpentan-1-ol;sulfamide has a molecular weight of 213.30 g/mol, XLogP of -1.50, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methylpentan-1-ol;sulfamide is sourced from PubChem (CID 87947819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).