N,2,2-trimethyl-5-thiophen-2-ylsulfinylcyclopentan-1-amine

C12H19NOS2 — CID 79863251

IUPACN,2,2-trimethyl-5-thiophen-2-ylsulfinylcyclopentan-1-amine
SMILESCNC1C(S(=O)c2cccs2)CCC1(C)C
InChIInChI=1S/C12H19NOS2/c1-12(2)7-6-9(11(12)13-3)16(14)10-5-4-8-15-10/h4-5,8-9,11,13H,6-7H2,1-3H3
InChIKeyFHGIAKVQTYKJSC-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.63
Rot. Bonds3

About N,2,2-trimethyl-5-thiophen-2-ylsulfinylcyclopentan-1-amine

N,2,2-trimethyl-5-thiophen-2-ylsulfinylcyclopentan-1-amine (PubChem CID 79863251) has the molecular formula C12H19NOS2 and a molecular weight of 257.42 g/mol. Its IUPAC name is N,2,2-trimethyl-5-thiophen-2-ylsulfinylcyclopentan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-5-thiophen-2-ylsulfinylcyclopentan-1-amine
PubChem CID79863251
Molecular FormulaC12H19NOS2
Molecular Weight257.42 g/mol
Exact Mass257.09
IUPAC NameN,2,2-trimethyl-5-thiophen-2-ylsulfinylcyclopentan-1-amine
SMILESCNC1C(S(=O)c2cccs2)CCC1(C)C
InChIInChI=1S/C12H19NOS2/c1-12(2)7-6-9(11(12)13-3)16(14)10-5-4-8-15-10/h4-5,8-9,11,13H,6-7H2,1-3H3
InChIKeyFHGIAKVQTYKJSC-UHFFFAOYSA-N
XLogP2.63
TPSA29.10 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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-5-thiophen-2-ylsulfinylcyclopentan-1-amine?
The IUPAC name of N,2,2-trimethyl-5-thiophen-2-ylsulfinylcyclopentan-1-amine (CID 79863251) is N,2,2-trimethyl-5-thiophen-2-ylsulfinylcyclopentan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-5-thiophen-2-ylsulfinylcyclopentan-1-amine?
The canonical SMILES for N,2,2-trimethyl-5-thiophen-2-ylsulfinylcyclopentan-1-amine is CNC1C(S(=O)c2cccs2)CCC1(C)C.
What is the InChIKey of N,2,2-trimethyl-5-thiophen-2-ylsulfinylcyclopentan-1-amine?
The InChIKey is FHGIAKVQTYKJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS2/c1-12(2)7-6-9(11(12)13-3)16(14)10-5-4-8-15-10/h4-5,8-9,11,13H,6-7H2,1-3H3.
What are the key properties of N,2,2-trimethyl-5-thiophen-2-ylsulfinylcyclopentan-1-amine?
N,2,2-trimethyl-5-thiophen-2-ylsulfinylcyclopentan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-5-thiophen-2-ylsulfinylcyclopentan-1-amine is sourced from PubChem (CID 79863251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).