6-methylsulfonyl-1-(oxan-2-yl)-N-propylhexan-3-amine

C15H31NO3S — CID 115820960

IUPAC6-methylsulfonyl-1-(oxan-2-yl)-N-propylhexan-3-amine
SMILESCCCNC(CCCS(C)(=O)=O)CCC1CCCCO1
InChIInChI=1S/C15H31NO3S/c1-3-11-16-14(7-6-13-20(2,17)18)9-10-15-8-4-5-12-19-15/h14-16H,3-13H2,1-2H3
InChIKeyRKYIECDTRNDHQS-UHFFFAOYSA-N
MW305.48 g/mol
LogP2.53
Rot. Bonds10

About 6-methylsulfonyl-1-(oxan-2-yl)-N-propylhexan-3-amine

6-methylsulfonyl-1-(oxan-2-yl)-N-propylhexan-3-amine (PubChem CID 115820960) has the molecular formula C15H31NO3S and a molecular weight of 305.48 g/mol. Its IUPAC name is 6-methylsulfonyl-1-(oxan-2-yl)-N-propylhexan-3-amine.

Molecular Properties

Compound Name6-methylsulfonyl-1-(oxan-2-yl)-N-propylhexan-3-amine
PubChem CID115820960
Molecular FormulaC15H31NO3S
Molecular Weight305.48 g/mol
Exact Mass305.20
IUPAC Name6-methylsulfonyl-1-(oxan-2-yl)-N-propylhexan-3-amine
SMILESCCCNC(CCCS(C)(=O)=O)CCC1CCCCO1
InChIInChI=1S/C15H31NO3S/c1-3-11-16-14(7-6-13-20(2,17)18)9-10-15-8-4-5-12-19-15/h14-16H,3-13H2,1-2H3
InChIKeyRKYIECDTRNDHQS-UHFFFAOYSA-N
XLogP2.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxolan-2-yl)-N-propyloctan-3-amine
CID 115837005
1-(oxan-2-yl)-N-propylhex-5-en-3-amine
CID 115815083
N-ethyl-6-ethylsulfonyl-1-(oxolan-2-yl)hexan-3-amine
CID 115865230
N-methyl-1-methylsulfonyl-5-(oxan-2-yl)pentan-3-amine
CID 115848636
1-(1,3-dioxolan-2-yl)-5-methylsulfonyl-N-propylpentan-2-amine
CID 103546496
1-methylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 65164508
1-methoxy-5-(oxolan-2-yl)-N-propylpentan-3-amine
CID 65164444
1-ethylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 65164220
6-methoxy-6-methyl-1-(oxan-2-yl)-N-propylheptan-3-amine
CID 103032094
1-cyclopentyl-5-(oxolan-2-yl)-N-propylpentan-2-amine
CID 104993245
N-[2-(oxolan-2-yl)ethyl]undecan-6-amine
CID 63452863
N-ethyl-1-(oxolan-2-yl)heptan-3-amine
CID 79404378

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-1-(oxan-2-yl)-N-propylhexan-3-amine?
The IUPAC name of 6-methylsulfonyl-1-(oxan-2-yl)-N-propylhexan-3-amine (CID 115820960) is 6-methylsulfonyl-1-(oxan-2-yl)-N-propylhexan-3-amine.
What is the SMILES notation for 6-methylsulfonyl-1-(oxan-2-yl)-N-propylhexan-3-amine?
The canonical SMILES for 6-methylsulfonyl-1-(oxan-2-yl)-N-propylhexan-3-amine is CCCNC(CCCS(C)(=O)=O)CCC1CCCCO1.
What is the InChIKey of 6-methylsulfonyl-1-(oxan-2-yl)-N-propylhexan-3-amine?
The InChIKey is RKYIECDTRNDHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3S/c1-3-11-16-14(7-6-13-20(2,17)18)9-10-15-8-4-5-12-19-15/h14-16H,3-13H2,1-2H3.
What are the key properties of 6-methylsulfonyl-1-(oxan-2-yl)-N-propylhexan-3-amine?
6-methylsulfonyl-1-(oxan-2-yl)-N-propylhexan-3-amine has a molecular weight of 305.48 g/mol, XLogP of 2.53, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-1-(oxan-2-yl)-N-propylhexan-3-amine is sourced from PubChem (CID 115820960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).