3-methylsulfonyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine

C14H29NO3S — CID 115848550

IUPAC3-methylsulfonyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine
SMILESCCCNC(CCS(C)(=O)=O)C1C(C)OC(C)C1C
InChIInChI=1S/C14H29NO3S/c1-6-8-15-13(7-9-19(5,16)17)14-10(2)11(3)18-12(14)4/h10-15H,6-9H2,1-5H3
InChIKeyRUSXPQZHCORVLT-UHFFFAOYSA-N
MW291.46 g/mol
LogP1.85
Rot. Bonds7

About 3-methylsulfonyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine

3-methylsulfonyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine (PubChem CID 115848550) has the molecular formula C14H29NO3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 3-methylsulfonyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-methylsulfonyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine
PubChem CID115848550
Molecular FormulaC14H29NO3S
Molecular Weight291.46 g/mol
Exact Mass291.19
IUPAC Name3-methylsulfonyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine
SMILESCCCNC(CCS(C)(=O)=O)C1C(C)OC(C)C1C
InChIInChI=1S/C14H29NO3S/c1-6-8-15-13(7-9-19(5,16)17)14-10(2)11(3)18-12(14)4/h10-15H,6-9H2,1-5H3
InChIKeyRUSXPQZHCORVLT-UHFFFAOYSA-N
XLogP1.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,1-dioxothiolan-3-yl)-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103032216
2-(1,1-dioxothiolan-3-yl)-N-propan-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62530645
2-[1-(5-Propan-2-ylpyrrolidin-3-yl)oxypropan-2-yl]thiolane 1,1-dioxide
CID 134402281
N-[(1,1-dioxothiolan-3-yl)-(oxan-4-yl)methyl]propan-1-amine
CID 55066605
2-(1,1-dioxothiolan-3-yl)-4-ethoxy-N-ethylbutan-1-amine
CID 55083755
4-butoxy-2-(1,1-dioxothiolan-3-yl)-N-ethylbutan-1-amine
CID 55083802
2-(1,1-dioxothiolan-3-yl)-4-methoxy-N-propylbutan-1-amine
CID 55083847
2-(1,1-dioxothiolan-3-yl)-N-propan-2-yl-4-propan-2-yloxybutan-1-amine
CID 55083940
N-[2-(1,1-dioxothiolan-3-yl)-4-propan-2-yloxybutyl]cyclopropanamine
CID 55083990
N-tert-butyl-2-(1,1-dioxothiolan-3-yl)-4-ethoxybutan-1-amine
CID 55084035
2-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 55091719
4-methylsulfonyl-1-(oxolan-2-yl)-N-propylbutan-2-amine
CID 55095020

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine?
The IUPAC name of 3-methylsulfonyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine (CID 115848550) is 3-methylsulfonyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine.
What is the SMILES notation for 3-methylsulfonyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine?
The canonical SMILES for 3-methylsulfonyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine is CCCNC(CCS(C)(=O)=O)C1C(C)OC(C)C1C.
What is the InChIKey of 3-methylsulfonyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine?
The InChIKey is RUSXPQZHCORVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3S/c1-6-8-15-13(7-9-19(5,16)17)14-10(2)11(3)18-12(14)4/h10-15H,6-9H2,1-5H3.
What are the key properties of 3-methylsulfonyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine?
3-methylsulfonyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine has a molecular weight of 291.46 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine is sourced from PubChem (CID 115848550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).