N-(2-methylcyclopentyl)-1-oxothian-4-amine

C11H21NOS — CID 63277662

IUPACN-(2-methylcyclopentyl)-1-oxothian-4-amine
SMILESCC1CCCC1NC1CCS(=O)CC1
InChIInChI=1S/C11H21NOS/c1-9-3-2-4-11(9)12-10-5-7-14(13)8-6-10/h9-12H,2-8H2,1H3
InChIKeyXDXDCCVDGIMWTK-UHFFFAOYSA-N
MW215.36 g/mol
LogP1.68
Rot. Bonds2

About N-(2-methylcyclopentyl)-1-oxothian-4-amine

N-(2-methylcyclopentyl)-1-oxothian-4-amine (PubChem CID 63277662) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is N-(2-methylcyclopentyl)-1-oxothian-4-amine.

Molecular Properties

Compound NameN-(2-methylcyclopentyl)-1-oxothian-4-amine
PubChem CID63277662
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC NameN-(2-methylcyclopentyl)-1-oxothian-4-amine
SMILESCC1CCCC1NC1CCS(=O)CC1
InChIInChI=1S/C11H21NOS/c1-9-3-2-4-11(9)12-10-5-7-14(13)8-6-10/h9-12H,2-8H2,1H3
InChIKeyXDXDCCVDGIMWTK-UHFFFAOYSA-N
XLogP1.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclopentyl)-1-oxothian-4-amine?
The IUPAC name of N-(2-methylcyclopentyl)-1-oxothian-4-amine (CID 63277662) is N-(2-methylcyclopentyl)-1-oxothian-4-amine.
What is the SMILES notation for N-(2-methylcyclopentyl)-1-oxothian-4-amine?
The canonical SMILES for N-(2-methylcyclopentyl)-1-oxothian-4-amine is CC1CCCC1NC1CCS(=O)CC1.
What is the InChIKey of N-(2-methylcyclopentyl)-1-oxothian-4-amine?
The InChIKey is XDXDCCVDGIMWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-9-3-2-4-11(9)12-10-5-7-14(13)8-6-10/h9-12H,2-8H2,1H3.
What are the key properties of N-(2-methylcyclopentyl)-1-oxothian-4-amine?
N-(2-methylcyclopentyl)-1-oxothian-4-amine has a molecular weight of 215.36 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclopentyl)-1-oxothian-4-amine is sourced from PubChem (CID 63277662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).