3-(2-methylpropylsulfonyl)pentan-1-amine

C9H21NO2S — CID 64697185

IUPAC3-(2-methylpropylsulfonyl)pentan-1-amine
SMILESCCC(CCN)S(=O)(=O)CC(C)C
InChIInChI=1S/C9H21NO2S/c1-4-9(5-6-10)13(11,12)7-8(2)3/h8-9H,4-7,10H2,1-3H3
InChIKeyYYFZZDNTAJWITB-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.18
Rot. Bonds6

About 3-(2-methylpropylsulfonyl)pentan-1-amine

3-(2-methylpropylsulfonyl)pentan-1-amine (PubChem CID 64697185) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is 3-(2-methylpropylsulfonyl)pentan-1-amine.

Molecular Properties

Compound Name3-(2-methylpropylsulfonyl)pentan-1-amine
PubChem CID64697185
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC Name3-(2-methylpropylsulfonyl)pentan-1-amine
SMILESCCC(CCN)S(=O)(=O)CC(C)C
InChIInChI=1S/C9H21NO2S/c1-4-9(5-6-10)13(11,12)7-8(2)3/h8-9H,4-7,10H2,1-3H3
InChIKeyYYFZZDNTAJWITB-UHFFFAOYSA-N
XLogP1.18
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropylsulfonyl)pentan-1-amine?
The IUPAC name of 3-(2-methylpropylsulfonyl)pentan-1-amine (CID 64697185) is 3-(2-methylpropylsulfonyl)pentan-1-amine.
What is the SMILES notation for 3-(2-methylpropylsulfonyl)pentan-1-amine?
The canonical SMILES for 3-(2-methylpropylsulfonyl)pentan-1-amine is CCC(CCN)S(=O)(=O)CC(C)C.
What is the InChIKey of 3-(2-methylpropylsulfonyl)pentan-1-amine?
The InChIKey is YYFZZDNTAJWITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-4-9(5-6-10)13(11,12)7-8(2)3/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 3-(2-methylpropylsulfonyl)pentan-1-amine?
3-(2-methylpropylsulfonyl)pentan-1-amine has a molecular weight of 207.34 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropylsulfonyl)pentan-1-amine is sourced from PubChem (CID 64697185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).