3-tert-butylsulfinyl-N-ethylcyclopentan-1-amine

C11H23NOS — CID 64722654

IUPAC3-tert-butylsulfinyl-N-ethylcyclopentan-1-amine
SMILESCCNC1CCC(S(=O)C(C)(C)C)C1
InChIInChI=1S/C11H23NOS/c1-5-12-9-6-7-10(8-9)14(13)11(2,3)4/h9-10,12H,5-8H2,1-4H3
InChIKeySMOUCMPBLWLMJX-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.06
Rot. Bonds3

About 3-tert-butylsulfinyl-N-ethylcyclopentan-1-amine

3-tert-butylsulfinyl-N-ethylcyclopentan-1-amine (PubChem CID 64722654) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 3-tert-butylsulfinyl-N-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name3-tert-butylsulfinyl-N-ethylcyclopentan-1-amine
PubChem CID64722654
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name3-tert-butylsulfinyl-N-ethylcyclopentan-1-amine
SMILESCCNC1CCC(S(=O)C(C)(C)C)C1
InChIInChI=1S/C11H23NOS/c1-5-12-9-6-7-10(8-9)14(13)11(2,3)4/h9-10,12H,5-8H2,1-4H3
InChIKeySMOUCMPBLWLMJX-UHFFFAOYSA-N
XLogP2.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-naphthalen-2-ylsulfinylcyclopentan-1-amine
CID 64722658
3-tert-butylsulfinylcyclopentan-1-amine
CID 64722653
(2R)-N-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 167179387
3-(4-chlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine
CID 64716942
N-ethyl-3-(oxan-4-ylsulfinyl)cyclohexan-1-amine
CID 64717388
(3S)-3-N-ethyl-1-N-methylcyclopentane-1,3-diamine
CID 171100893
3-tert-butylsulfinylcyclopentane-1-carbaldehyde
CID 123190092
3-(2,4-difluorophenyl)sulfinyl-N-ethylcyclohexan-1-amine
CID 64717560
N-ethylcyclopropanamine;hydrochloride
CID 43810659
3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylcyclohexan-1-amine
CID 64717359
3-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine
CID 64716958
N-ethyl-3-pentan-2-ylcyclohexan-1-amine
CID 107888160

Frequently Asked Questions

What is the IUPAC name of 3-tert-butylsulfinyl-N-ethylcyclopentan-1-amine?
The IUPAC name of 3-tert-butylsulfinyl-N-ethylcyclopentan-1-amine (CID 64722654) is 3-tert-butylsulfinyl-N-ethylcyclopentan-1-amine.
What is the SMILES notation for 3-tert-butylsulfinyl-N-ethylcyclopentan-1-amine?
The canonical SMILES for 3-tert-butylsulfinyl-N-ethylcyclopentan-1-amine is CCNC1CCC(S(=O)C(C)(C)C)C1.
What is the InChIKey of 3-tert-butylsulfinyl-N-ethylcyclopentan-1-amine?
The InChIKey is SMOUCMPBLWLMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-5-12-9-6-7-10(8-9)14(13)11(2,3)4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 3-tert-butylsulfinyl-N-ethylcyclopentan-1-amine?
3-tert-butylsulfinyl-N-ethylcyclopentan-1-amine has a molecular weight of 217.38 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylsulfinyl-N-ethylcyclopentan-1-amine is sourced from PubChem (CID 64722654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).