2-ethylsulfinyl-N-methyl-4-propylcyclohexan-1-amine

C12H25NOS — CID 64651091

IUPAC2-ethylsulfinyl-N-methyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC)C(S(=O)CC)C1
InChIInChI=1S/C12H25NOS/c1-4-6-10-7-8-11(13-3)12(9-10)15(14)5-2/h10-13H,4-9H2,1-3H3
InChIKeyMSMTUYNLDNCWPW-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.31
Rot. Bonds5

About 2-ethylsulfinyl-N-methyl-4-propylcyclohexan-1-amine

2-ethylsulfinyl-N-methyl-4-propylcyclohexan-1-amine (PubChem CID 64651091) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 2-ethylsulfinyl-N-methyl-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-ethylsulfinyl-N-methyl-4-propylcyclohexan-1-amine
PubChem CID64651091
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name2-ethylsulfinyl-N-methyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC)C(S(=O)CC)C1
InChIInChI=1S/C12H25NOS/c1-4-6-10-7-8-11(13-3)12(9-10)15(14)5-2/h10-13H,4-9H2,1-3H3
InChIKeyMSMTUYNLDNCWPW-UHFFFAOYSA-N
XLogP2.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butylsulfinyl-N-methyl-4-propylcyclohexan-1-amine
CID 64651470
2-(3-methoxypropylsulfinyl)-N-methyl-4-propylcyclohexan-1-amine
CID 64658421
2-ethylsulfinyl-4-propylcyclohexane-1-carbonitrile
CID 64691505
2-(2-methylpropylsulfinyl)-N,4-dipropylcyclohexan-1-amine
CID 64651231
3-ethylsulfinyl-N,2-dimethylcyclopentan-1-amine
CID 64905520
2-cyclohexylsulfinyl-N-ethyl-4-propylcyclohexan-1-amine
CID 64656792
2-(oxolan-2-ylmethylsulfinyl)-N,4-dipropylcyclohexan-1-amine
CID 106496357
2-hexyl-N-methyl-4-propylcyclohexan-1-amine
CID 63403681
N-methyl-2-[[methyl(propan-2-yl)amino]methyl]-4-propylcyclohexan-1-amine
CID 55093934
N-methyl-4-propyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine
CID 106727245
N-methyl-2-(3-methylbutyl)-4-propylcyclohexan-1-amine
CID 63403456
N-methyl-2-propan-2-ylsulfanyl-4-propylcyclohexan-1-amine
CID 64634825

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfinyl-N-methyl-4-propylcyclohexan-1-amine?
The IUPAC name of 2-ethylsulfinyl-N-methyl-4-propylcyclohexan-1-amine (CID 64651091) is 2-ethylsulfinyl-N-methyl-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-ethylsulfinyl-N-methyl-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-ethylsulfinyl-N-methyl-4-propylcyclohexan-1-amine is CCCC1CCC(NC)C(S(=O)CC)C1.
What is the InChIKey of 2-ethylsulfinyl-N-methyl-4-propylcyclohexan-1-amine?
The InChIKey is MSMTUYNLDNCWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-4-6-10-7-8-11(13-3)12(9-10)15(14)5-2/h10-13H,4-9H2,1-3H3.
What are the key properties of 2-ethylsulfinyl-N-methyl-4-propylcyclohexan-1-amine?
2-ethylsulfinyl-N-methyl-4-propylcyclohexan-1-amine has a molecular weight of 231.40 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfinyl-N-methyl-4-propylcyclohexan-1-amine is sourced from PubChem (CID 64651091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).