N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methylpropane-2-sulfonamide

C14H30N2O2S — CID 55232810

IUPACN-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methylpropane-2-sulfonamide
SMILESCCN(C1(CN)CCC(C)CC1)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C14H30N2O2S/c1-6-16(19(17,18)13(3,4)5)14(11-15)9-7-12(2)8-10-14/h12H,6-11,15H2,1-5H3
InChIKeyDRKBQPFNJCQQQR-UHFFFAOYSA-N
MW290.47 g/mol
LogP2.34
Rot. Bonds4

About N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methylpropane-2-sulfonamide

N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methylpropane-2-sulfonamide (PubChem CID 55232810) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methylpropane-2-sulfonamide
PubChem CID55232810
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC NameN-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methylpropane-2-sulfonamide
SMILESCCN(C1(CN)CCC(C)CC1)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C14H30N2O2S/c1-6-16(19(17,18)13(3,4)5)14(11-15)9-7-12(2)8-10-14/h12H,6-11,15H2,1-5H3
InChIKeyDRKBQPFNJCQQQR-UHFFFAOYSA-N
XLogP2.34
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methylpropane-2-sulfonamide (CID 55232810) is N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methylpropane-2-sulfonamide is CCN(C1(CN)CCC(C)CC1)S(=O)(=O)C(C)(C)C.
What is the InChIKey of N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methylpropane-2-sulfonamide?
The InChIKey is DRKBQPFNJCQQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-6-16(19(17,18)13(3,4)5)14(11-15)9-7-12(2)8-10-14/h12H,6-11,15H2,1-5H3.
What are the key properties of N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methylpropane-2-sulfonamide?
N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methylpropane-2-sulfonamide has a molecular weight of 290.47 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-methylcyclohexyl]-N-ethyl-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 55232810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).