2-[(4-tert-butylcyclohexyl)methylamino]-N-methylethanesulfonamide

C14H30N2O2S — CID 102674917

IUPAC2-[(4-tert-butylcyclohexyl)methylamino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNCC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H30N2O2S/c1-14(2,3)13-7-5-12(6-8-13)11-16-9-10-19(17,18)15-4/h12-13,15-16H,5-11H2,1-4H3
InChIKeyFZYPHYHSLOCMCX-UHFFFAOYSA-N
MW290.47 g/mol
LogP1.98
Rot. Bonds6

About 2-[(4-tert-butylcyclohexyl)methylamino]-N-methylethanesulfonamide

2-[(4-tert-butylcyclohexyl)methylamino]-N-methylethanesulfonamide (PubChem CID 102674917) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is 2-[(4-tert-butylcyclohexyl)methylamino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[(4-tert-butylcyclohexyl)methylamino]-N-methylethanesulfonamide
PubChem CID102674917
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC Name2-[(4-tert-butylcyclohexyl)methylamino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNCC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H30N2O2S/c1-14(2,3)13-7-5-12(6-8-13)11-16-9-10-19(17,18)15-4/h12-13,15-16H,5-11H2,1-4H3
InChIKeyFZYPHYHSLOCMCX-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-tert-butylcyclohexyl)methyl]propan-1-amine
CID 63506241
6-[(4-tert-butylcyclohexyl)methylamino]hexan-1-ol
CID 107849266
N-[2-[(4-tert-butylcyclohexyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115647673
N-methyl-2-[(5-methyloxolan-2-yl)methylamino]ethanesulfonamide
CID 106333857
N-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpropan-1-amine
CID 104574982
N-[(4-tert-butylcyclohexyl)methyl]-3-methylsulfanylpropan-1-amine
CID 104575105
3-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclobutan-1-ol
CID 113428497
2-(cyclopropylmethylamino)-N,N-dimethylethanesulfonamide
CID 106335897
N-[(4-tert-butylcyclohexyl)methyl]-2-methylprop-2-en-1-amine
CID 114615781
methyl 2-(4-tert-butylcyclohexyl)acetate;hydrochloride
CID 141145814
N-methyl-2-(piperidin-2-ylmethylamino)ethanesulfonamide
CID 106333681
3-[(4-tert-butylcyclohexyl)methylamino]-2-hydroxy-2-methylpropanoic acid
CID 122040928

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylcyclohexyl)methylamino]-N-methylethanesulfonamide?
The IUPAC name of 2-[(4-tert-butylcyclohexyl)methylamino]-N-methylethanesulfonamide (CID 102674917) is 2-[(4-tert-butylcyclohexyl)methylamino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[(4-tert-butylcyclohexyl)methylamino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[(4-tert-butylcyclohexyl)methylamino]-N-methylethanesulfonamide is CNS(=O)(=O)CCNCC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 2-[(4-tert-butylcyclohexyl)methylamino]-N-methylethanesulfonamide?
The InChIKey is FZYPHYHSLOCMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-14(2,3)13-7-5-12(6-8-13)11-16-9-10-19(17,18)15-4/h12-13,15-16H,5-11H2,1-4H3.
What are the key properties of 2-[(4-tert-butylcyclohexyl)methylamino]-N-methylethanesulfonamide?
2-[(4-tert-butylcyclohexyl)methylamino]-N-methylethanesulfonamide has a molecular weight of 290.47 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylcyclohexyl)methylamino]-N-methylethanesulfonamide is sourced from PubChem (CID 102674917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).