N-[(2-methylthiolan-2-yl)methyl]cyclobutanamine

C10H19NS — CID 80723016

IUPACN-[(2-methylthiolan-2-yl)methyl]cyclobutanamine
SMILESCC1(CNC2CCC2)CCCS1
InChIInChI=1S/C10H19NS/c1-10(6-3-7-12-10)8-11-9-4-2-5-9/h9,11H,2-8H2,1H3
InChIKeyWSKYHPZJMSRYAH-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.41
Rot. Bonds3

About N-[(2-methylthiolan-2-yl)methyl]cyclobutanamine

N-[(2-methylthiolan-2-yl)methyl]cyclobutanamine (PubChem CID 80723016) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is N-[(2-methylthiolan-2-yl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(2-methylthiolan-2-yl)methyl]cyclobutanamine
PubChem CID80723016
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC NameN-[(2-methylthiolan-2-yl)methyl]cyclobutanamine
SMILESCC1(CNC2CCC2)CCCS1
InChIInChI=1S/C10H19NS/c1-10(6-3-7-12-10)8-11-9-4-2-5-9/h9,11H,2-8H2,1H3
InChIKeyWSKYHPZJMSRYAH-UHFFFAOYSA-N
XLogP2.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylthiolan-2-yl)methyl]cyclobutanamine?
The IUPAC name of N-[(2-methylthiolan-2-yl)methyl]cyclobutanamine (CID 80723016) is N-[(2-methylthiolan-2-yl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(2-methylthiolan-2-yl)methyl]cyclobutanamine?
The canonical SMILES for N-[(2-methylthiolan-2-yl)methyl]cyclobutanamine is CC1(CNC2CCC2)CCCS1.
What is the InChIKey of N-[(2-methylthiolan-2-yl)methyl]cyclobutanamine?
The InChIKey is WSKYHPZJMSRYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-10(6-3-7-12-10)8-11-9-4-2-5-9/h9,11H,2-8H2,1H3.
What are the key properties of N-[(2-methylthiolan-2-yl)methyl]cyclobutanamine?
N-[(2-methylthiolan-2-yl)methyl]cyclobutanamine has a molecular weight of 185.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylthiolan-2-yl)methyl]cyclobutanamine is sourced from PubChem (CID 80723016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).