2-amino-4-methylpentan-1-ol;sulfamide

C6H19N3O3S — CID 22627925

IUPAC2-amino-4-methylpentan-1-ol;sulfamide
SMILESCC(C)CC(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)
InChIKeyPRGYZCXJZROXEZ-UHFFFAOYSA-N
MW213.30 g/mol
LogP-1.50
Rot. Bonds3

About 2-amino-4-methylpentan-1-ol;sulfamide

2-amino-4-methylpentan-1-ol;sulfamide (PubChem CID 22627925) has the molecular formula C6H19N3O3S and a molecular weight of 213.30 g/mol. Its IUPAC name is 2-amino-4-methylpentan-1-ol;sulfamide.

Molecular Properties

Compound Name2-amino-4-methylpentan-1-ol;sulfamide
PubChem CID22627925
Molecular FormulaC6H19N3O3S
Molecular Weight213.30 g/mol
Exact Mass213.11
IUPAC Name2-amino-4-methylpentan-1-ol;sulfamide
SMILESCC(C)CC(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)
InChIKeyPRGYZCXJZROXEZ-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylpentan-1-ol;sulfamide?
The IUPAC name of 2-amino-4-methylpentan-1-ol;sulfamide (CID 22627925) is 2-amino-4-methylpentan-1-ol;sulfamide.
What is the SMILES notation for 2-amino-4-methylpentan-1-ol;sulfamide?
The canonical SMILES for 2-amino-4-methylpentan-1-ol;sulfamide is CC(C)CC(N)CO.NS(N)(=O)=O.
What is the InChIKey of 2-amino-4-methylpentan-1-ol;sulfamide?
The InChIKey is PRGYZCXJZROXEZ-UHFFFAOYSA-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).
What are the key properties of 2-amino-4-methylpentan-1-ol;sulfamide?
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 2-amino-4-methylpentan-1-ol;sulfamide is sourced from PubChem (CID 22627925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).