N-(2-ethylsulfinylethyl)-4-propylcycloheptan-1-amine

C14H29NOS — CID 113494628

IUPACN-(2-ethylsulfinylethyl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(NCCS(=O)CC)CC1
InChIInChI=1S/C14H29NOS/c1-3-6-13-7-5-8-14(10-9-13)15-11-12-17(16)4-2/h13-15H,3-12H2,1-2H3
InChIKeyMHIARBUBHWYJBL-UHFFFAOYSA-N
MW259.46 g/mol
LogP3.09
Rot. Bonds7

About N-(2-ethylsulfinylethyl)-4-propylcycloheptan-1-amine

N-(2-ethylsulfinylethyl)-4-propylcycloheptan-1-amine (PubChem CID 113494628) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is N-(2-ethylsulfinylethyl)-4-propylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(2-ethylsulfinylethyl)-4-propylcycloheptan-1-amine
PubChem CID113494628
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC NameN-(2-ethylsulfinylethyl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(NCCS(=O)CC)CC1
InChIInChI=1S/C14H29NOS/c1-3-6-13-7-5-8-14(10-9-13)15-11-12-17(16)4-2/h13-15H,3-12H2,1-2H3
InChIKeyMHIARBUBHWYJBL-UHFFFAOYSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethylsulfinylethyl)cycloheptanamine
CID 115627115
4-propyl-N-(2-pyrrolidin-1-ylethyl)cycloheptan-1-amine
CID 65087017
3-[(4-propylcycloheptyl)amino]propanamide
CID 65086939
N-cyclobutyl-4-propylcycloheptan-1-amine
CID 65091278
N,N-dimethyl-2-[(4-propylcycloheptyl)amino]ethanesulfonamide
CID 106335972
N-propyl-3-[(4-propylcycloheptyl)amino]propanamide
CID 65091128
N-(2,2-dimethylpropyl)-4-propylcycloheptan-1-amine
CID 65091749
N',N'-diethyl-N-(4-propylcycloheptyl)propane-1,3-diamine
CID 65087423
methyl 4-[(4-propylcycloheptyl)amino]butanoate
CID 65091252
N-butyl-4-propylcyclohexan-1-amine
CID 43080052
N-(cyclopentylmethyl)-2-ethylsulfinylethanamine
CID 115907341
2-ethyl-N-(2-ethylsulfinylethyl)cyclopentan-1-amine
CID 115719034

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfinylethyl)-4-propylcycloheptan-1-amine?
The IUPAC name of N-(2-ethylsulfinylethyl)-4-propylcycloheptan-1-amine (CID 113494628) is N-(2-ethylsulfinylethyl)-4-propylcycloheptan-1-amine.
What is the SMILES notation for N-(2-ethylsulfinylethyl)-4-propylcycloheptan-1-amine?
The canonical SMILES for N-(2-ethylsulfinylethyl)-4-propylcycloheptan-1-amine is CCCC1CCCC(NCCS(=O)CC)CC1.
What is the InChIKey of N-(2-ethylsulfinylethyl)-4-propylcycloheptan-1-amine?
The InChIKey is MHIARBUBHWYJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-3-6-13-7-5-8-14(10-9-13)15-11-12-17(16)4-2/h13-15H,3-12H2,1-2H3.
What are the key properties of N-(2-ethylsulfinylethyl)-4-propylcycloheptan-1-amine?
N-(2-ethylsulfinylethyl)-4-propylcycloheptan-1-amine has a molecular weight of 259.46 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfinylethyl)-4-propylcycloheptan-1-amine is sourced from PubChem (CID 113494628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).