N-methyl-2-(2-propan-2-ylsulfonylethoxy)cyclohexan-1-amine

C12H25NO3S — CID 106727010

IUPACN-methyl-2-(2-propan-2-ylsulfonylethoxy)cyclohexan-1-amine
SMILESCNC1CCCCC1OCCS(=O)(=O)C(C)C
InChIInChI=1S/C12H25NO3S/c1-10(2)17(14,15)9-8-16-12-7-5-4-6-11(12)13-3/h10-13H,4-9H2,1-3H3
InChIKeyTXVUVXMVWUMMKI-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.36
Rot. Bonds6

About N-methyl-2-(2-propan-2-ylsulfonylethoxy)cyclohexan-1-amine

N-methyl-2-(2-propan-2-ylsulfonylethoxy)cyclohexan-1-amine (PubChem CID 106727010) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is N-methyl-2-(2-propan-2-ylsulfonylethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(2-propan-2-ylsulfonylethoxy)cyclohexan-1-amine
PubChem CID106727010
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC NameN-methyl-2-(2-propan-2-ylsulfonylethoxy)cyclohexan-1-amine
SMILESCNC1CCCCC1OCCS(=O)(=O)C(C)C
InChIInChI=1S/C12H25NO3S/c1-10(2)17(14,15)9-8-16-12-7-5-4-6-11(12)13-3/h10-13H,4-9H2,1-3H3
InChIKeyTXVUVXMVWUMMKI-UHFFFAOYSA-N
XLogP1.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-propan-2-ylsulfonylethoxy)cyclohexan-1-amine?
The IUPAC name of N-methyl-2-(2-propan-2-ylsulfonylethoxy)cyclohexan-1-amine (CID 106727010) is N-methyl-2-(2-propan-2-ylsulfonylethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-(2-propan-2-ylsulfonylethoxy)cyclohexan-1-amine?
The canonical SMILES for N-methyl-2-(2-propan-2-ylsulfonylethoxy)cyclohexan-1-amine is CNC1CCCCC1OCCS(=O)(=O)C(C)C.
What is the InChIKey of N-methyl-2-(2-propan-2-ylsulfonylethoxy)cyclohexan-1-amine?
The InChIKey is TXVUVXMVWUMMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-10(2)17(14,15)9-8-16-12-7-5-4-6-11(12)13-3/h10-13H,4-9H2,1-3H3.
What are the key properties of N-methyl-2-(2-propan-2-ylsulfonylethoxy)cyclohexan-1-amine?
N-methyl-2-(2-propan-2-ylsulfonylethoxy)cyclohexan-1-amine has a molecular weight of 263.40 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-propan-2-ylsulfonylethoxy)cyclohexan-1-amine is sourced from PubChem (CID 106727010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).