N-(1-aminopentan-3-yl)-2-methylpropane-2-sulfinamide

C9H22N2OS — CID 89073689

IUPACN-(1-aminopentan-3-yl)-2-methylpropane-2-sulfinamide
SMILESCCC(CCN)NS(=O)C(C)(C)C
InChIInChI=1S/C9H22N2OS/c1-5-8(6-7-10)11-13(12)9(2,3)4/h8,11H,5-7,10H2,1-4H3
InChIKeyZVLCYIXHXQJNEX-UHFFFAOYSA-N
MW206.35 g/mol
LogP1.17
Rot. Bonds5

About N-(1-aminopentan-3-yl)-2-methylpropane-2-sulfinamide

N-(1-aminopentan-3-yl)-2-methylpropane-2-sulfinamide (PubChem CID 89073689) has the molecular formula C9H22N2OS and a molecular weight of 206.35 g/mol. Its IUPAC name is N-(1-aminopentan-3-yl)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-(1-aminopentan-3-yl)-2-methylpropane-2-sulfinamide
PubChem CID89073689
Molecular FormulaC9H22N2OS
Molecular Weight206.35 g/mol
Exact Mass206.15
IUPAC NameN-(1-aminopentan-3-yl)-2-methylpropane-2-sulfinamide
SMILESCCC(CCN)NS(=O)C(C)(C)C
InChIInChI=1S/C9H22N2OS/c1-5-8(6-7-10)11-13(12)9(2,3)4/h8,11H,5-7,10H2,1-4H3
InChIKeyZVLCYIXHXQJNEX-UHFFFAOYSA-N
XLogP1.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopentan-3-yl)-2-methylpropane-2-sulfinamide?
The IUPAC name of N-(1-aminopentan-3-yl)-2-methylpropane-2-sulfinamide (CID 89073689) is N-(1-aminopentan-3-yl)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-(1-aminopentan-3-yl)-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-(1-aminopentan-3-yl)-2-methylpropane-2-sulfinamide is CCC(CCN)NS(=O)C(C)(C)C.
What is the InChIKey of N-(1-aminopentan-3-yl)-2-methylpropane-2-sulfinamide?
The InChIKey is ZVLCYIXHXQJNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2OS/c1-5-8(6-7-10)11-13(12)9(2,3)4/h8,11H,5-7,10H2,1-4H3.
What are the key properties of N-(1-aminopentan-3-yl)-2-methylpropane-2-sulfinamide?
N-(1-aminopentan-3-yl)-2-methylpropane-2-sulfinamide has a molecular weight of 206.35 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopentan-3-yl)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 89073689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).