2,4,4-trimethyl-N-(1-methylsulfinylpropan-2-yl)cyclopentan-1-amine

C12H25NOS — CID 106662802

IUPAC2,4,4-trimethyl-N-(1-methylsulfinylpropan-2-yl)cyclopentan-1-amine
SMILESCC(CS(C)=O)NC1CC(C)(C)CC1C
InChIInChI=1S/C12H25NOS/c1-9-6-12(3,4)7-11(9)13-10(2)8-15(5)14/h9-11,13H,6-8H2,1-5H3
InChIKeyDTUWPEOOAPGGRB-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.17
Rot. Bonds4

About 2,4,4-trimethyl-N-(1-methylsulfinylpropan-2-yl)cyclopentan-1-amine

2,4,4-trimethyl-N-(1-methylsulfinylpropan-2-yl)cyclopentan-1-amine (PubChem CID 106662802) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-(1-methylsulfinylpropan-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-(1-methylsulfinylpropan-2-yl)cyclopentan-1-amine
PubChem CID106662802
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name2,4,4-trimethyl-N-(1-methylsulfinylpropan-2-yl)cyclopentan-1-amine
SMILESCC(CS(C)=O)NC1CC(C)(C)CC1C
InChIInChI=1S/C12H25NOS/c1-9-6-12(3,4)7-11(9)13-10(2)8-15(5)14/h9-11,13H,6-8H2,1-5H3
InChIKeyDTUWPEOOAPGGRB-UHFFFAOYSA-N
XLogP2.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(2-methylsulfonylethyl)cyclopentan-1-amine
CID 61381606
N-ethyl-2-(2-ethylsulfonylethyl)cyclopentan-1-amine
CID 61381608
2-(2-methylsulfonylethyl)-N-propylcyclopentan-1-amine
CID 61382097
2-(2-ethylsulfonylethyl)-N-propylcyclopentan-1-amine
CID 61382099
N-[[1-(2-methylsulfonylethyl)cyclopentyl]methyl]propan-2-amine
CID 62725396
N-[[1-(2-ethylsulfonylethyl)cyclopentyl]methyl]propan-2-amine
CID 62725397
N-ethyl-2-(3-methylsulfonylpropyl)cyclopentan-1-amine
CID 63191297
2-(3-methylsulfonylpropyl)-N-propylcyclopentan-1-amine
CID 63191298
N-[[1-(3-methylsulfonylpropyl)cyclopentyl]methyl]propan-2-amine
CID 63195697
N-(2-methylcyclopentyl)-1-oxothian-4-amine
CID 63277662
2-methyl-N-(2-methylsulfonylethyl)cyclopentan-1-amine
CID 63277913
2-methyl-N-(3-methylsulfonylpropyl)cyclopentan-1-amine
CID 63278108

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-(1-methylsulfinylpropan-2-yl)cyclopentan-1-amine?
The IUPAC name of 2,4,4-trimethyl-N-(1-methylsulfinylpropan-2-yl)cyclopentan-1-amine (CID 106662802) is 2,4,4-trimethyl-N-(1-methylsulfinylpropan-2-yl)cyclopentan-1-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-(1-methylsulfinylpropan-2-yl)cyclopentan-1-amine?
The canonical SMILES for 2,4,4-trimethyl-N-(1-methylsulfinylpropan-2-yl)cyclopentan-1-amine is CC(CS(C)=O)NC1CC(C)(C)CC1C.
What is the InChIKey of 2,4,4-trimethyl-N-(1-methylsulfinylpropan-2-yl)cyclopentan-1-amine?
The InChIKey is DTUWPEOOAPGGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-9-6-12(3,4)7-11(9)13-10(2)8-15(5)14/h9-11,13H,6-8H2,1-5H3.
What are the key properties of 2,4,4-trimethyl-N-(1-methylsulfinylpropan-2-yl)cyclopentan-1-amine?
2,4,4-trimethyl-N-(1-methylsulfinylpropan-2-yl)cyclopentan-1-amine has a molecular weight of 231.40 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-(1-methylsulfinylpropan-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 106662802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).