N-(2-ethylsulfinylethyl)cycloheptanamine

C11H23NOS — CID 115627115

IUPACN-(2-ethylsulfinylethyl)cycloheptanamine
SMILESCCS(=O)CCNC1CCCCCC1
InChIInChI=1S/C11H23NOS/c1-2-14(13)10-9-12-11-7-5-3-4-6-8-11/h11-12H,2-10H2,1H3
InChIKeyVEPSDGMKEGMIOC-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.07
Rot. Bonds5

About N-(2-ethylsulfinylethyl)cycloheptanamine

N-(2-ethylsulfinylethyl)cycloheptanamine (PubChem CID 115627115) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is N-(2-ethylsulfinylethyl)cycloheptanamine.

Molecular Properties

Compound NameN-(2-ethylsulfinylethyl)cycloheptanamine
PubChem CID115627115
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC NameN-(2-ethylsulfinylethyl)cycloheptanamine
SMILESCCS(=O)CCNC1CCCCCC1
InChIInChI=1S/C11H23NOS/c1-2-14(13)10-9-12-11-7-5-3-4-6-8-11/h11-12H,2-10H2,1H3
InChIKeyVEPSDGMKEGMIOC-UHFFFAOYSA-N
XLogP2.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethylsulfinylethyl)-4-propylcycloheptan-1-amine
CID 113494628
N-cyclohexyl-2-(2-ethylsulfinylethylamino)propanamide
CID 113494724
N-(2-ethylsulfinylethyl)-2,6-dimethyloxan-4-amine
CID 115907336
N-(cyclopentylmethyl)-2-ethylsulfinylethanamine
CID 115907341
N-(2-ethylsulfinylethyl)-1-propan-2-ylpyrrolidin-3-amine
CID 115689185
2-ethyl-N-(2-ethylsulfinylethyl)cyclopentan-1-amine
CID 115719034
azane;N-propylcyclohexanamine
CID 19368218
N-propylcyclohexanamine;hydrochloride
CID 17370003
2-(cyclobutylamino)ethanesulfinic acid
CID 59286119
N-(2-cyclopentylsulfinylethyl)cyclopropanamine
CID 64655245
3-(cyclohexylamino)propyl sulfite
CID 57055219
N-propylcyclohexanamine;sulfuric acid
CID 22994805

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfinylethyl)cycloheptanamine?
The IUPAC name of N-(2-ethylsulfinylethyl)cycloheptanamine (CID 115627115) is N-(2-ethylsulfinylethyl)cycloheptanamine.
What is the SMILES notation for N-(2-ethylsulfinylethyl)cycloheptanamine?
The canonical SMILES for N-(2-ethylsulfinylethyl)cycloheptanamine is CCS(=O)CCNC1CCCCCC1.
What is the InChIKey of N-(2-ethylsulfinylethyl)cycloheptanamine?
The InChIKey is VEPSDGMKEGMIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-2-14(13)10-9-12-11-7-5-3-4-6-8-11/h11-12H,2-10H2,1H3.
What are the key properties of N-(2-ethylsulfinylethyl)cycloheptanamine?
N-(2-ethylsulfinylethyl)cycloheptanamine has a molecular weight of 217.38 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfinylethyl)cycloheptanamine is sourced from PubChem (CID 115627115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).