3-tert-butylsulfinylcyclopentan-1-amine

C9H19NOS — CID 64722653

IUPAC3-tert-butylsulfinylcyclopentan-1-amine
SMILESCC(C)(C)S(=O)C1CCC(N)C1
InChIInChI=1S/C9H19NOS/c1-9(2,3)12(11)8-5-4-7(10)6-8/h7-8H,4-6,10H2,1-3H3
InChIKeyMHWVNGKRTVVTCD-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.41
Rot. Bonds1

About 3-tert-butylsulfinylcyclopentan-1-amine

3-tert-butylsulfinylcyclopentan-1-amine (PubChem CID 64722653) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 3-tert-butylsulfinylcyclopentan-1-amine.

Molecular Properties

Compound Name3-tert-butylsulfinylcyclopentan-1-amine
PubChem CID64722653
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name3-tert-butylsulfinylcyclopentan-1-amine
SMILESCC(C)(C)S(=O)C1CCC(N)C1
InChIInChI=1S/C9H19NOS/c1-9(2,3)12(11)8-5-4-7(10)6-8/h7-8H,4-6,10H2,1-3H3
InChIKeyMHWVNGKRTVVTCD-UHFFFAOYSA-N
XLogP1.41
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butylsulfinylcyclopentane-1-carbaldehyde
CID 123190092
3-tert-butylsulfinyl-N-ethylcyclopentan-1-amine
CID 64722654
3-(tert-butylsulfinylmethyl)cyclopentan-1-amine
CID 130582308
3-(2,3-dihydro-1H-inden-5-ylsulfinyl)cyclopentan-1-amine
CID 64723256
3-(2-chlorophenyl)sulfinylcyclopentan-1-amine
CID 64722442
ethyl 4-tert-butylsulfinylcyclohexane-1-carboxylate
CID 172760968
4-(3-methylcyclohexyl)sulfinylcyclohexan-1-amine
CID 62808351
tert-butyl 4-tert-butylsulfinylcyclohexane-1-carboxylate
CID 175169116
3-naphthalen-2-ylsulfinylcyclopentan-1-amine
CID 64722450
3-butylsulfinylcyclohexan-1-amine
CID 64717770
3-(4-propan-2-ylphenyl)sulfinylcyclohexan-1-amine
CID 64717155
tert-butyl (3R)-3-aminocyclopentane-1-carboxylate
CID 121277242

Frequently Asked Questions

What is the IUPAC name of 3-tert-butylsulfinylcyclopentan-1-amine?
The IUPAC name of 3-tert-butylsulfinylcyclopentan-1-amine (CID 64722653) is 3-tert-butylsulfinylcyclopentan-1-amine.
What is the SMILES notation for 3-tert-butylsulfinylcyclopentan-1-amine?
The canonical SMILES for 3-tert-butylsulfinylcyclopentan-1-amine is CC(C)(C)S(=O)C1CCC(N)C1.
What is the InChIKey of 3-tert-butylsulfinylcyclopentan-1-amine?
The InChIKey is MHWVNGKRTVVTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-9(2,3)12(11)8-5-4-7(10)6-8/h7-8H,4-6,10H2,1-3H3.
What are the key properties of 3-tert-butylsulfinylcyclopentan-1-amine?
3-tert-butylsulfinylcyclopentan-1-amine has a molecular weight of 189.32 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylsulfinylcyclopentan-1-amine is sourced from PubChem (CID 64722653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).