3-methyl-N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclohexan-1-amine

C14H29NO2S — CID 107757350

IUPAC3-methyl-N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclohexan-1-amine
SMILESCC1CCCC(NCCS(=O)(=O)C(C)C(C)C)C1
InChIInChI=1S/C14H29NO2S/c1-11(2)13(4)18(16,17)9-8-15-14-7-5-6-12(3)10-14/h11-15H,5-10H2,1-4H3
InChIKeyHWMMYKFCIMIABD-UHFFFAOYSA-N
MW275.46 g/mol
LogP2.61
Rot. Bonds6

About 3-methyl-N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclohexan-1-amine

3-methyl-N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclohexan-1-amine (PubChem CID 107757350) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is 3-methyl-N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclohexan-1-amine
PubChem CID107757350
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC Name3-methyl-N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclohexan-1-amine
SMILESCC1CCCC(NCCS(=O)(=O)C(C)C(C)C)C1
InChIInChI=1S/C14H29NO2S/c1-11(2)13(4)18(16,17)9-8-15-14-7-5-6-12(3)10-14/h11-15H,5-10H2,1-4H3
InChIKeyHWMMYKFCIMIABD-UHFFFAOYSA-N
XLogP2.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclopentanamine
CID 107757330
3-methyl-N-(2-propan-2-ylsulfonylethyl)cyclopentan-1-amine
CID 106724576
3-methyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 60920379
N-(2-propan-2-ylsulfonylethyl)cyclobutanamine
CID 106723621
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394
3-methyl-N-(3-methylsulfanylbutyl)cyclohexan-1-amine
CID 115653141
N-(2-cyclobutylethyl)-3-methylcyclohexan-1-amine
CID 115690272
3-(3-methylcyclohexyl)sulfonyl-N-propylcyclohexan-1-amine
CID 64717553
N'-(3-methylcyclohexyl)propane-1,3-diamine
CID 60889312
4-[(3-methylcyclohexyl)amino]butanenitrile
CID 43317904
3-ethyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine
CID 64743190
3-methyl-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine
CID 61483630

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 3-methyl-N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclohexan-1-amine (CID 107757350) is 3-methyl-N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 3-methyl-N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclohexan-1-amine is CC1CCCC(NCCS(=O)(=O)C(C)C(C)C)C1.
What is the InChIKey of 3-methyl-N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclohexan-1-amine?
The InChIKey is HWMMYKFCIMIABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-11(2)13(4)18(16,17)9-8-15-14-7-5-6-12(3)10-14/h11-15H,5-10H2,1-4H3.
What are the key properties of 3-methyl-N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclohexan-1-amine?
3-methyl-N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclohexan-1-amine has a molecular weight of 275.46 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 107757350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).