1-cyclohexyl-1-methoxy-5-methylsulfonyl-N-propylpentan-2-amine

C16H33NO3S — CID 116771861

IUPAC1-cyclohexyl-1-methoxy-5-methylsulfonyl-N-propylpentan-2-amine
SMILESCCCNC(CCCS(C)(=O)=O)C(OC)C1CCCCC1
InChIInChI=1S/C16H33NO3S/c1-4-12-17-15(11-8-13-21(3,18)19)16(20-2)14-9-6-5-7-10-14/h14-17H,4-13H2,1-3H3
InChIKeyAXPRLNJRIFKPMT-UHFFFAOYSA-N
MW319.51 g/mol
LogP2.77
Rot. Bonds10

About 1-cyclohexyl-1-methoxy-5-methylsulfonyl-N-propylpentan-2-amine

1-cyclohexyl-1-methoxy-5-methylsulfonyl-N-propylpentan-2-amine (PubChem CID 116771861) has the molecular formula C16H33NO3S and a molecular weight of 319.51 g/mol. Its IUPAC name is 1-cyclohexyl-1-methoxy-5-methylsulfonyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-1-methoxy-5-methylsulfonyl-N-propylpentan-2-amine
PubChem CID116771861
Molecular FormulaC16H33NO3S
Molecular Weight319.51 g/mol
Exact Mass319.22
IUPAC Name1-cyclohexyl-1-methoxy-5-methylsulfonyl-N-propylpentan-2-amine
SMILESCCCNC(CCCS(C)(=O)=O)C(OC)C1CCCCC1
InChIInChI=1S/C16H33NO3S/c1-4-12-17-15(11-8-13-21(3,18)19)16(20-2)14-9-6-5-7-10-14/h14-17H,4-13H2,1-3H3
InChIKeyAXPRLNJRIFKPMT-UHFFFAOYSA-N
XLogP2.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.51
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-1-methoxy-4-methylsulfonyl-N-propylbutan-2-amine
CID 116722742
1-cyclohexyl-1-methoxy-6-methyl-N-propylheptan-2-amine
CID 116771907
1-cyclooctyl-4-methylsulfonyl-N-propylbutan-1-amine
CID 80610576
1-cyclohexyl-1-methoxy-N-propylhept-5-yn-2-amine
CID 116771813
1-cyclohexyl-1-methoxy-4-methyl-N-propylheptan-2-amine
CID 116771857
1-cyclohexyl-1-ethoxy-N-propylheptan-2-amine
CID 116772446
5-methoxy-6-methyl-1-methylsulfonyl-N-propylheptan-4-amine
CID 116720556
1-(6-bicyclo[3.1.0]hexanyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 115820353
N-(2-cyclohexyl-1-cyclopropyl-2-methoxyethyl)propan-1-amine
CID 116771906
1-cyclooctyl-4-ethylsulfonyl-N-propylbutan-1-amine
CID 80611662
1-(3-methylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 65415614
1-cyclopropyl-1-methoxy-N-propylhex-5-yn-2-amine
CID 116722820

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-methoxy-5-methylsulfonyl-N-propylpentan-2-amine?
The IUPAC name of 1-cyclohexyl-1-methoxy-5-methylsulfonyl-N-propylpentan-2-amine (CID 116771861) is 1-cyclohexyl-1-methoxy-5-methylsulfonyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-cyclohexyl-1-methoxy-5-methylsulfonyl-N-propylpentan-2-amine?
The canonical SMILES for 1-cyclohexyl-1-methoxy-5-methylsulfonyl-N-propylpentan-2-amine is CCCNC(CCCS(C)(=O)=O)C(OC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-methoxy-5-methylsulfonyl-N-propylpentan-2-amine?
The InChIKey is AXPRLNJRIFKPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO3S/c1-4-12-17-15(11-8-13-21(3,18)19)16(20-2)14-9-6-5-7-10-14/h14-17H,4-13H2,1-3H3.
What are the key properties of 1-cyclohexyl-1-methoxy-5-methylsulfonyl-N-propylpentan-2-amine?
1-cyclohexyl-1-methoxy-5-methylsulfonyl-N-propylpentan-2-amine has a molecular weight of 319.51 g/mol, XLogP of 2.77, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-methoxy-5-methylsulfonyl-N-propylpentan-2-amine is sourced from PubChem (CID 116771861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).