N-[2-(3-methylcyclohexyl)sulfonylethyl]propan-2-amine

C12H25NO2S — CID 64675839

IUPACN-[2-(3-methylcyclohexyl)sulfonylethyl]propan-2-amine
SMILESCC1CCCC(S(=O)(=O)CCNC(C)C)C1
InChIInChI=1S/C12H25NO2S/c1-10(2)13-7-8-16(14,15)12-6-4-5-11(3)9-12/h10-13H,4-9H2,1-3H3
InChIKeyQKDYOLCOSBGHMQ-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.98
Rot. Bonds5

About N-[2-(3-methylcyclohexyl)sulfonylethyl]propan-2-amine

N-[2-(3-methylcyclohexyl)sulfonylethyl]propan-2-amine (PubChem CID 64675839) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is N-[2-(3-methylcyclohexyl)sulfonylethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(3-methylcyclohexyl)sulfonylethyl]propan-2-amine
PubChem CID64675839
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC NameN-[2-(3-methylcyclohexyl)sulfonylethyl]propan-2-amine
SMILESCC1CCCC(S(=O)(=O)CCNC(C)C)C1
InChIInChI=1S/C12H25NO2S/c1-10(2)13-7-8-16(14,15)12-6-4-5-11(3)9-12/h10-13H,4-9H2,1-3H3
InChIKeyQKDYOLCOSBGHMQ-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylcyclohexyl)sulfonylethyl]propan-2-amine?
The IUPAC name of N-[2-(3-methylcyclohexyl)sulfonylethyl]propan-2-amine (CID 64675839) is N-[2-(3-methylcyclohexyl)sulfonylethyl]propan-2-amine.
What is the SMILES notation for N-[2-(3-methylcyclohexyl)sulfonylethyl]propan-2-amine?
The canonical SMILES for N-[2-(3-methylcyclohexyl)sulfonylethyl]propan-2-amine is CC1CCCC(S(=O)(=O)CCNC(C)C)C1.
What is the InChIKey of N-[2-(3-methylcyclohexyl)sulfonylethyl]propan-2-amine?
The InChIKey is QKDYOLCOSBGHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-10(2)13-7-8-16(14,15)12-6-4-5-11(3)9-12/h10-13H,4-9H2,1-3H3.
What are the key properties of N-[2-(3-methylcyclohexyl)sulfonylethyl]propan-2-amine?
N-[2-(3-methylcyclohexyl)sulfonylethyl]propan-2-amine has a molecular weight of 247.40 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylcyclohexyl)sulfonylethyl]propan-2-amine is sourced from PubChem (CID 64675839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).