1-(3-methylcyclohexyl)sulfonyl-N-propylpropan-2-amine

C13H27NO2S — CID 64676231

IUPAC1-(3-methylcyclohexyl)sulfonyl-N-propylpropan-2-amine
SMILESCCCNC(C)CS(=O)(=O)C1CCCC(C)C1
InChIInChI=1S/C13H27NO2S/c1-4-8-14-12(3)10-17(15,16)13-7-5-6-11(2)9-13/h11-14H,4-10H2,1-3H3
InChIKeyRXEAZDNEDMVYBK-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.37
Rot. Bonds6

About 1-(3-methylcyclohexyl)sulfonyl-N-propylpropan-2-amine

1-(3-methylcyclohexyl)sulfonyl-N-propylpropan-2-amine (PubChem CID 64676231) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is 1-(3-methylcyclohexyl)sulfonyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(3-methylcyclohexyl)sulfonyl-N-propylpropan-2-amine
PubChem CID64676231
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC Name1-(3-methylcyclohexyl)sulfonyl-N-propylpropan-2-amine
SMILESCCCNC(C)CS(=O)(=O)C1CCCC(C)C1
InChIInChI=1S/C13H27NO2S/c1-4-8-14-12(3)10-17(15,16)13-7-5-6-11(2)9-13/h11-14H,4-10H2,1-3H3
InChIKeyRXEAZDNEDMVYBK-UHFFFAOYSA-N
XLogP2.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methylcyclohexyl)sulfonylethyl]propan-2-amine
CID 64675839
1-amino-3-(3-methylcyclohexyl)sulfonylpropan-2-ol
CID 115476741
3-(3-methylcyclohexyl)sulfonyl-N-propylcyclohexan-1-amine
CID 64717553
N-methyl-3-(3-methylcyclohexyl)sulfonylpropan-1-amine
CID 64676229
4-(3-methylcyclohexyl)sulfinyl-N-propylbutan-2-amine
CID 64657617
4-(3-methylcyclohexyl)sulfanyl-N-propylpentan-2-amine
CID 64704078
N-methyl-2-(3-methylcyclohexyl)sulfonylpentan-3-amine
CID 64674052
N-methyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64717554
N-ethyl-3-(2-methylpropylsulfonyl)cyclohexan-1-amine
CID 64715674
N-ethyl-4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64675834
ethyl 2-(3-methylcyclohexyl)sulfonylacetate
CID 62720621
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-propylbutan-2-amine
CID 115559484

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclohexyl)sulfonyl-N-propylpropan-2-amine?
The IUPAC name of 1-(3-methylcyclohexyl)sulfonyl-N-propylpropan-2-amine (CID 64676231) is 1-(3-methylcyclohexyl)sulfonyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-(3-methylcyclohexyl)sulfonyl-N-propylpropan-2-amine?
The canonical SMILES for 1-(3-methylcyclohexyl)sulfonyl-N-propylpropan-2-amine is CCCNC(C)CS(=O)(=O)C1CCCC(C)C1.
What is the InChIKey of 1-(3-methylcyclohexyl)sulfonyl-N-propylpropan-2-amine?
The InChIKey is RXEAZDNEDMVYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-4-8-14-12(3)10-17(15,16)13-7-5-6-11(2)9-13/h11-14H,4-10H2,1-3H3.
What are the key properties of 1-(3-methylcyclohexyl)sulfonyl-N-propylpropan-2-amine?
1-(3-methylcyclohexyl)sulfonyl-N-propylpropan-2-amine has a molecular weight of 261.43 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexyl)sulfonyl-N-propylpropan-2-amine is sourced from PubChem (CID 64676231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).