3-cyclopentylsulfinylbutan-2-amine

C9H19NOS — CID 64655431

IUPAC3-cyclopentylsulfinylbutan-2-amine
SMILESCC(N)C(C)S(=O)C1CCCC1
InChIInChI=1S/C9H19NOS/c1-7(10)8(2)12(11)9-5-3-4-6-9/h7-9H,3-6,10H2,1-2H3
InChIKeyNGMRKULRRRVZRY-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.41
Rot. Bonds3

About 3-cyclopentylsulfinylbutan-2-amine

3-cyclopentylsulfinylbutan-2-amine (PubChem CID 64655431) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 3-cyclopentylsulfinylbutan-2-amine.

Molecular Properties

Compound Name3-cyclopentylsulfinylbutan-2-amine
PubChem CID64655431
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name3-cyclopentylsulfinylbutan-2-amine
SMILESCC(N)C(C)S(=O)C1CCCC1
InChIInChI=1S/C9H19NOS/c1-7(10)8(2)12(11)9-5-3-4-6-9/h7-9H,3-6,10H2,1-2H3
InChIKeyNGMRKULRRRVZRY-UHFFFAOYSA-N
XLogP1.41
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methylcyclohexyl)sulfinylbutan-2-amine
CID 64657610
2-cyclohexylsulfinyl-1-phenylpropan-1-amine
CID 64654149
2-cyclohexylsulfinyl-1-(4-methoxyphenyl)propan-1-amine
CID 64654768
1-cyclopentylsulfinylpropan-2-amine
CID 64655238
1-cycloheptylsulfinylpropan-2-amine
CID 82934442
2-(oxan-4-ylsulfinyl)pentan-3-amine
CID 64655252
ethyl 3-cyclopentylsulfinylbutanoate
CID 63115480
cyclobutylsulfinylcyclobutane
CID 14738655
3-amino-2-cyclohexylsulfinylpropanoic acid
CID 64686700
2-(3-methylbutan-2-ylsulfinyl)cyclododecan-1-amine
CID 107759517
propan-2-yl 2-cyclopentylsulfinyl-2-propylsulfanylacetate
CID 87830218
1-cyclohexylpropane-1,2-diamine
CID 20574714

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfinylbutan-2-amine?
The IUPAC name of 3-cyclopentylsulfinylbutan-2-amine (CID 64655431) is 3-cyclopentylsulfinylbutan-2-amine.
What is the SMILES notation for 3-cyclopentylsulfinylbutan-2-amine?
The canonical SMILES for 3-cyclopentylsulfinylbutan-2-amine is CC(N)C(C)S(=O)C1CCCC1.
What is the InChIKey of 3-cyclopentylsulfinylbutan-2-amine?
The InChIKey is NGMRKULRRRVZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-7(10)8(2)12(11)9-5-3-4-6-9/h7-9H,3-6,10H2,1-2H3.
What are the key properties of 3-cyclopentylsulfinylbutan-2-amine?
3-cyclopentylsulfinylbutan-2-amine has a molecular weight of 189.32 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfinylbutan-2-amine is sourced from PubChem (CID 64655431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).