N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]methanesulfonamide

C14H30N2O2S — CID 65088547

IUPACN-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCCC1CCCC(NCC(C)(C)NS(C)(=O)=O)CC1
InChIInChI=1S/C14H30N2O2S/c1-5-12-7-6-8-13(10-9-12)15-11-14(2,3)16-19(4,17)18/h12-13,15-16H,5-11H2,1-4H3
InChIKeyIAYYTBIVHAWILH-UHFFFAOYSA-N
MW290.47 g/mol
LogP2.26
Rot. Bonds6

About N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 65088547) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID65088547
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC NameN-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCCC1CCCC(NCC(C)(C)NS(C)(=O)=O)CC1
InChIInChI=1S/C14H30N2O2S/c1-5-12-7-6-8-13(10-9-12)15-11-14(2,3)16-19(4,17)18/h12-13,15-16H,5-11H2,1-4H3
InChIKeyIAYYTBIVHAWILH-UHFFFAOYSA-N
XLogP2.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylbutyl)-4-ethylcycloheptan-1-amine
CID 103460646
tert-butyl N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]carbamate
CID 107249963
N-[2-methyl-1-(spiro[4.5]decan-8-ylamino)propan-2-yl]methanesulfonamide
CID 114817668
N-[1-[(1-ethylpiperidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 63859970
N-[2-methyl-1-[(1-methylpiperidin-4-yl)amino]propan-2-yl]methanesulfonamide
CID 63859486
3-[(4-ethylcycloheptyl)amino]-2-methylpropane-1,2-diol
CID 66169877
N-[2-methyl-1-(thiolan-3-ylamino)propan-2-yl]methanesulfonamide
CID 63859971
N-[2-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-yl]methanesulfonamide
CID 63859794
N-[1-[(2-hydroxycycloheptyl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 63859680
N-(2,2-dimethylpropyl)-4-propylcycloheptan-1-amine
CID 65091749
N-[2-methyl-1-[(2-methylcyclohexyl)amino]propan-2-yl]methanesulfonamide
CID 63860145
(1R)-4-ethyl-N-methylcycloheptan-1-amine
CID 155058936

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]methanesulfonamide (CID 65088547) is N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]methanesulfonamide is CCC1CCCC(NCC(C)(C)NS(C)(=O)=O)CC1.
What is the InChIKey of N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is IAYYTBIVHAWILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-5-12-7-6-8-13(10-9-12)15-11-14(2,3)16-19(4,17)18/h12-13,15-16H,5-11H2,1-4H3.
What are the key properties of N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 290.47 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 65088547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).