(2-thiophen-2-ylsulfinylcycloheptyl)methanamine

C12H19NOS2 — CID 81328024

IUPAC(2-thiophen-2-ylsulfinylcycloheptyl)methanamine
SMILESNCC1CCCCCC1S(=O)c1cccs1
InChIInChI=1S/C12H19NOS2/c13-9-10-5-2-1-3-6-11(10)16(14)12-7-4-8-15-12/h4,7-8,10-11H,1-3,5-6,9,13H2
InChIKeyJKFCMRRRNPQIPQ-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.76
Rot. Bonds3

About (2-thiophen-2-ylsulfinylcycloheptyl)methanamine

(2-thiophen-2-ylsulfinylcycloheptyl)methanamine (PubChem CID 81328024) has the molecular formula C12H19NOS2 and a molecular weight of 257.42 g/mol. Its IUPAC name is (2-thiophen-2-ylsulfinylcycloheptyl)methanamine.

Molecular Properties

Compound Name(2-thiophen-2-ylsulfinylcycloheptyl)methanamine
PubChem CID81328024
Molecular FormulaC12H19NOS2
Molecular Weight257.42 g/mol
Exact Mass257.09
IUPAC Name(2-thiophen-2-ylsulfinylcycloheptyl)methanamine
SMILESNCC1CCCCCC1S(=O)c1cccs1
InChIInChI=1S/C12H19NOS2/c13-9-10-5-2-1-3-6-11(10)16(14)12-7-4-8-15-12/h4,7-8,10-11H,1-3,5-6,9,13H2
InChIKeyJKFCMRRRNPQIPQ-UHFFFAOYSA-N
XLogP2.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-thiophen-2-ylsulfinylcycloheptan-1-amine
CID 64651144
(4-propyl-2-thiophen-2-ylsulfinylcyclohexyl)methanamine
CID 81328241
[2-(2-methylphenyl)sulfinylcycloheptyl]methanamine
CID 81328475
[4-(2-methylbutan-2-yl)-2-thiophen-2-ylsulfinylcyclohexyl]methanamine
CID 81328942
[2-(4-tert-butylphenyl)sulfinylcyclohexyl]methanamine
CID 81328026
[2-(3-bromophenyl)sulfinylcyclohexyl]methanamine
CID 81334124
[2-(4-methylsulfonylphenyl)sulfinylcycloheptyl]methanamine
CID 81333740
[2-(3-chloro-4-fluorophenyl)sulfinylcycloheptyl]methanamine
CID 115477515
[2-(2,5-dimethylphenyl)sulfinylcyclohexyl]methanamine
CID 81328814
[2-(3,4-dichlorophenyl)sulfinylcyclopentyl]methanamine
CID 81333789
(2-thiophen-2-ylcyclopentyl)methanamine
CID 81010672
[2-(3-chloro-4-fluorophenyl)sulfinylcyclopentyl]methanamine
CID 115477506

Frequently Asked Questions

What is the IUPAC name of (2-thiophen-2-ylsulfinylcycloheptyl)methanamine?
The IUPAC name of (2-thiophen-2-ylsulfinylcycloheptyl)methanamine (CID 81328024) is (2-thiophen-2-ylsulfinylcycloheptyl)methanamine.
What is the SMILES notation for (2-thiophen-2-ylsulfinylcycloheptyl)methanamine?
The canonical SMILES for (2-thiophen-2-ylsulfinylcycloheptyl)methanamine is NCC1CCCCCC1S(=O)c1cccs1.
What is the InChIKey of (2-thiophen-2-ylsulfinylcycloheptyl)methanamine?
The InChIKey is JKFCMRRRNPQIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS2/c13-9-10-5-2-1-3-6-11(10)16(14)12-7-4-8-15-12/h4,7-8,10-11H,1-3,5-6,9,13H2.
What are the key properties of (2-thiophen-2-ylsulfinylcycloheptyl)methanamine?
(2-thiophen-2-ylsulfinylcycloheptyl)methanamine has a molecular weight of 257.42 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-thiophen-2-ylsulfinylcycloheptyl)methanamine is sourced from PubChem (CID 81328024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).