N-(1-ethoxypropan-2-yl)-2-methylsulfonylcyclopentan-1-amine

C11H23NO3S — CID 65046268

IUPACN-(1-ethoxypropan-2-yl)-2-methylsulfonylcyclopentan-1-amine
SMILESCCOCC(C)NC1CCCC1S(C)(=O)=O
InChIInChI=1S/C11H23NO3S/c1-4-15-8-9(2)12-10-6-5-7-11(10)16(3,13)14/h9-12H,4-8H2,1-3H3
InChIKeyKIOJONUNVCITLH-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.97
Rot. Bonds6

About N-(1-ethoxypropan-2-yl)-2-methylsulfonylcyclopentan-1-amine

N-(1-ethoxypropan-2-yl)-2-methylsulfonylcyclopentan-1-amine (PubChem CID 65046268) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-2-methylsulfonylcyclopentan-1-amine
PubChem CID65046268
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC NameN-(1-ethoxypropan-2-yl)-2-methylsulfonylcyclopentan-1-amine
SMILESCCOCC(C)NC1CCCC1S(C)(=O)=O
InChIInChI=1S/C11H23NO3S/c1-4-15-8-9(2)12-10-6-5-7-11(10)16(3,13)14/h9-12H,4-8H2,1-3H3
InChIKeyKIOJONUNVCITLH-UHFFFAOYSA-N
XLogP0.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 65045807
N-[2-(2,2-difluoroethoxy)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 103082634
N-[2-(2-methylsulfonylethoxy)ethyl]propan-2-amine
CID 62342200
N-[2-(2-methylsulfonylethoxy)ethyl]pentan-3-amine
CID 115891908
(2S)-2-[(R)-ethylsulfonyl(methoxy)methyl]pyrrolidine
CID 123244830
N-(2-methoxyethyl)-4-methylsulfonylcyclohexan-1-amine
CID 146426819
(2R)-2-[(S)-ethylsulfonyl(methoxy)methyl]pyrrolidine
CID 173380949
2-(1-Methoxyethylsulfonylmethyl)pyrrolidine
CID 174877138
N-(1-methoxypropan-2-yl)-1,1-dioxothiolan-3-amine
CID 20115709
N-(2-ethoxyethyl)-1,1-dioxothiolan-3-amine
CID 43387921
N-(2-methoxyethyl)-1,1-dioxothian-4-amine
CID 43511424
N-(1-methoxypropan-2-yl)-1,1-dioxothian-4-amine
CID 43511456

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of N-(1-ethoxypropan-2-yl)-2-methylsulfonylcyclopentan-1-amine (CID 65046268) is N-(1-ethoxypropan-2-yl)-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-2-methylsulfonylcyclopentan-1-amine is CCOCC(C)NC1CCCC1S(C)(=O)=O.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is KIOJONUNVCITLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-4-15-8-9(2)12-10-6-5-7-11(10)16(3,13)14/h9-12H,4-8H2,1-3H3.
What are the key properties of N-(1-ethoxypropan-2-yl)-2-methylsulfonylcyclopentan-1-amine?
N-(1-ethoxypropan-2-yl)-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 249.38 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 65046268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).