1-cycloheptylsulfinylpropan-2-amine

C10H21NOS — CID 82934442

IUPAC1-cycloheptylsulfinylpropan-2-amine
SMILESCC(N)CS(=O)C1CCCCCC1
InChIInChI=1S/C10H21NOS/c1-9(11)8-13(12)10-6-4-2-3-5-7-10/h9-10H,2-8,11H2,1H3
InChIKeyRPKAFUKVYDKGGA-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.81
Rot. Bonds3

About 1-cycloheptylsulfinylpropan-2-amine

1-cycloheptylsulfinylpropan-2-amine (PubChem CID 82934442) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 1-cycloheptylsulfinylpropan-2-amine.

Molecular Properties

Compound Name1-cycloheptylsulfinylpropan-2-amine
PubChem CID82934442
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name1-cycloheptylsulfinylpropan-2-amine
SMILESCC(N)CS(=O)C1CCCCCC1
InChIInChI=1S/C10H21NOS/c1-9(11)8-13(12)10-6-4-2-3-5-7-10/h9-10H,2-8,11H2,1H3
InChIKeyRPKAFUKVYDKGGA-UHFFFAOYSA-N
XLogP1.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptylsulfinylpropan-2-amine?
The IUPAC name of 1-cycloheptylsulfinylpropan-2-amine (CID 82934442) is 1-cycloheptylsulfinylpropan-2-amine.
What is the SMILES notation for 1-cycloheptylsulfinylpropan-2-amine?
The canonical SMILES for 1-cycloheptylsulfinylpropan-2-amine is CC(N)CS(=O)C1CCCCCC1.
What is the InChIKey of 1-cycloheptylsulfinylpropan-2-amine?
The InChIKey is RPKAFUKVYDKGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-9(11)8-13(12)10-6-4-2-3-5-7-10/h9-10H,2-8,11H2,1H3.
What are the key properties of 1-cycloheptylsulfinylpropan-2-amine?
1-cycloheptylsulfinylpropan-2-amine has a molecular weight of 203.35 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptylsulfinylpropan-2-amine is sourced from PubChem (CID 82934442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).