N-(cyclopentylmethyl)-2-ethylsulfinylethanamine

C10H21NOS — CID 115907341

IUPACN-(cyclopentylmethyl)-2-ethylsulfinylethanamine
SMILESCCS(=O)CCNCC1CCCC1
InChIInChI=1S/C10H21NOS/c1-2-13(12)8-7-11-9-10-5-3-4-6-10/h10-11H,2-9H2,1H3
InChIKeyYPGRVLKIRYJVLR-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.53
Rot. Bonds6

About N-(cyclopentylmethyl)-2-ethylsulfinylethanamine

N-(cyclopentylmethyl)-2-ethylsulfinylethanamine (PubChem CID 115907341) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-ethylsulfinylethanamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-ethylsulfinylethanamine
PubChem CID115907341
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC NameN-(cyclopentylmethyl)-2-ethylsulfinylethanamine
SMILESCCS(=O)CCNCC1CCCC1
InChIInChI=1S/C10H21NOS/c1-2-13(12)8-7-11-9-10-5-3-4-6-10/h10-11H,2-9H2,1H3
InChIKeyYPGRVLKIRYJVLR-UHFFFAOYSA-N
XLogP1.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cycloheptylmethyl)-3-methylsulfinylpropan-1-amine
CID 115685658
N-(cyclopropylmethyl)-2-methylsulfinylethanamine
CID 115632660
N'-(cyclohexylmethyl)-N-propylethane-1,2-diamine
CID 62559758
N-(2-ethylsulfinylethyl)cycloheptanamine
CID 115627115
N-(2-ethylsulfinylethyl)-4-propylcycloheptan-1-amine
CID 113494628
N-(cyclopentylmethyl)-3-methylbutan-1-amine
CID 43317373
N'-(2-ethylsulfinylethyl)ethane-1,2-diamine
CID 130589076
N-(cyclopentylmethyl)decan-1-amine
CID 63489737
N'-[2-(cyclopentylmethylamino)ethyl]ethane-1,2-diamine
CID 59819099
N-cyclohexyl-2-(2-ethylsulfinylethylamino)propanamide
CID 113494724
N-(2-cyclohexylethyl)-2-[(S)-ethylsulfinyl]acetamide
CID 97228051
2-(cycloundecylmethylamino)ethanol
CID 123930521

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-ethylsulfinylethanamine?
The IUPAC name of N-(cyclopentylmethyl)-2-ethylsulfinylethanamine (CID 115907341) is N-(cyclopentylmethyl)-2-ethylsulfinylethanamine.
What is the SMILES notation for N-(cyclopentylmethyl)-2-ethylsulfinylethanamine?
The canonical SMILES for N-(cyclopentylmethyl)-2-ethylsulfinylethanamine is CCS(=O)CCNCC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-2-ethylsulfinylethanamine?
The InChIKey is YPGRVLKIRYJVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-2-13(12)8-7-11-9-10-5-3-4-6-10/h10-11H,2-9H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-2-ethylsulfinylethanamine?
N-(cyclopentylmethyl)-2-ethylsulfinylethanamine has a molecular weight of 203.35 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-ethylsulfinylethanamine is sourced from PubChem (CID 115907341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).