N,N-dimethyl-2-[(4-propylcycloheptyl)amino]ethanesulfonamide

C14H30N2O2S — CID 106335972

IUPACN,N-dimethyl-2-[(4-propylcycloheptyl)amino]ethanesulfonamide
SMILESCCCC1CCCC(NCCS(=O)(=O)N(C)C)CC1
InChIInChI=1S/C14H30N2O2S/c1-4-6-13-7-5-8-14(10-9-13)15-11-12-19(17,18)16(2)3/h13-15H,4-12H2,1-3H3
InChIKeyZPDLHGYBVHFPOX-UHFFFAOYSA-N
MW290.47 g/mol
LogP2.22
Rot. Bonds7

About N,N-dimethyl-2-[(4-propylcycloheptyl)amino]ethanesulfonamide

N,N-dimethyl-2-[(4-propylcycloheptyl)amino]ethanesulfonamide (PubChem CID 106335972) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is N,N-dimethyl-2-[(4-propylcycloheptyl)amino]ethanesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(4-propylcycloheptyl)amino]ethanesulfonamide
PubChem CID106335972
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC NameN,N-dimethyl-2-[(4-propylcycloheptyl)amino]ethanesulfonamide
SMILESCCCC1CCCC(NCCS(=O)(=O)N(C)C)CC1
InChIInChI=1S/C14H30N2O2S/c1-4-6-13-7-5-8-14(10-9-13)15-11-12-19(17,18)16(2)3/h13-15H,4-12H2,1-3H3
InChIKeyZPDLHGYBVHFPOX-UHFFFAOYSA-N
XLogP2.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-N-(4-propylcyclohexyl)ethanesulfonamide
CID 106054472
N-(2-propan-2-ylsulfonylethyl)-4-propylcyclohexan-1-amine
CID 106723458
3-[(4-propylcycloheptyl)amino]propanamide
CID 65086939
N-(2,2-dimethylpropyl)-4-propylcycloheptan-1-amine
CID 65091749
N',N'-diethyl-N-(4-propylcycloheptyl)propane-1,3-diamine
CID 65087423
N-(2-ethylsulfinylethyl)-4-propylcycloheptan-1-amine
CID 113494628
N'-cyclopentyl-N'-methyl-N-(4-propylcyclohexyl)ethane-1,2-diamine
CID 63462451
4-propyl-N-(2-pyrrolidin-1-ylethyl)cycloheptan-1-amine
CID 65087017
N-cyclobutyl-4-propylcycloheptan-1-amine
CID 65091278
N-propyl-3-[(4-propylcycloheptyl)amino]propanamide
CID 65091128
methyl 4-[(4-propylcycloheptyl)amino]butanoate
CID 65091252
N-butyl-4-propylcyclohexan-1-amine
CID 43080052

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(4-propylcycloheptyl)amino]ethanesulfonamide?
The IUPAC name of N,N-dimethyl-2-[(4-propylcycloheptyl)amino]ethanesulfonamide (CID 106335972) is N,N-dimethyl-2-[(4-propylcycloheptyl)amino]ethanesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-[(4-propylcycloheptyl)amino]ethanesulfonamide?
The canonical SMILES for N,N-dimethyl-2-[(4-propylcycloheptyl)amino]ethanesulfonamide is CCCC1CCCC(NCCS(=O)(=O)N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-2-[(4-propylcycloheptyl)amino]ethanesulfonamide?
The InChIKey is ZPDLHGYBVHFPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-4-6-13-7-5-8-14(10-9-13)15-11-12-19(17,18)16(2)3/h13-15H,4-12H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[(4-propylcycloheptyl)amino]ethanesulfonamide?
N,N-dimethyl-2-[(4-propylcycloheptyl)amino]ethanesulfonamide has a molecular weight of 290.47 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(4-propylcycloheptyl)amino]ethanesulfonamide is sourced from PubChem (CID 106335972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).