(2-propylsulfanylcyclopentyl)methanamine

C9H19NS — CID 43530081

IUPAC(2-propylsulfanylcyclopentyl)methanamine
SMILESCCCSC1CCCC1CN
InChIInChI=1S/C9H19NS/c1-2-6-11-9-5-3-4-8(9)7-10/h8-9H,2-7,10H2,1H3
InChIKeyXKQRDOHELYYKAG-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.26
Rot. Bonds4

About (2-propylsulfanylcyclopentyl)methanamine

(2-propylsulfanylcyclopentyl)methanamine (PubChem CID 43530081) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is (2-propylsulfanylcyclopentyl)methanamine.

Molecular Properties

Compound Name(2-propylsulfanylcyclopentyl)methanamine
PubChem CID43530081
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name(2-propylsulfanylcyclopentyl)methanamine
SMILESCCCSC1CCCC1CN
InChIInChI=1S/C9H19NS/c1-2-6-11-9-5-3-4-8(9)7-10/h8-9H,2-7,10H2,1H3
InChIKeyXKQRDOHELYYKAG-UHFFFAOYSA-N
XLogP2.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-propylsulfanylcyclopentyl)methanamine?
The IUPAC name of (2-propylsulfanylcyclopentyl)methanamine (CID 43530081) is (2-propylsulfanylcyclopentyl)methanamine.
What is the SMILES notation for (2-propylsulfanylcyclopentyl)methanamine?
The canonical SMILES for (2-propylsulfanylcyclopentyl)methanamine is CCCSC1CCCC1CN.
What is the InChIKey of (2-propylsulfanylcyclopentyl)methanamine?
The InChIKey is XKQRDOHELYYKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-2-6-11-9-5-3-4-8(9)7-10/h8-9H,2-7,10H2,1H3.
What are the key properties of (2-propylsulfanylcyclopentyl)methanamine?
(2-propylsulfanylcyclopentyl)methanamine has a molecular weight of 173.32 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propylsulfanylcyclopentyl)methanamine is sourced from PubChem (CID 43530081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).