1-(1,3-dioxolan-2-yl)-5-methylsulfonyl-N-propylpentan-2-amine

C12H25NO4S — CID 103546496

IUPAC1-(1,3-dioxolan-2-yl)-5-methylsulfonyl-N-propylpentan-2-amine
SMILESCCCNC(CCCS(C)(=O)=O)CC1OCCO1
InChIInChI=1S/C12H25NO4S/c1-3-6-13-11(5-4-9-18(2,14)15)10-12-16-7-8-17-12/h11-13H,3-10H2,1-2H3
InChIKeyDQJHITVPPFYUAQ-UHFFFAOYSA-N
MW279.40 g/mol
LogP0.94
Rot. Bonds9

About 1-(1,3-dioxolan-2-yl)-5-methylsulfonyl-N-propylpentan-2-amine

1-(1,3-dioxolan-2-yl)-5-methylsulfonyl-N-propylpentan-2-amine (PubChem CID 103546496) has the molecular formula C12H25NO4S and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-yl)-5-methylsulfonyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-yl)-5-methylsulfonyl-N-propylpentan-2-amine
PubChem CID103546496
Molecular FormulaC12H25NO4S
Molecular Weight279.40 g/mol
Exact Mass279.15
IUPAC Name1-(1,3-dioxolan-2-yl)-5-methylsulfonyl-N-propylpentan-2-amine
SMILESCCCNC(CCCS(C)(=O)=O)CC1OCCO1
InChIInChI=1S/C12H25NO4S/c1-3-6-13-11(5-4-9-18(2,14)15)10-12-16-7-8-17-12/h11-13H,3-10H2,1-2H3
InChIKeyDQJHITVPPFYUAQ-UHFFFAOYSA-N
XLogP0.94
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methylsulfonyl-N-propyl-1-(thian-4-yl)pentan-2-amine
CID 105112949
6-methylsulfonyl-1-(oxan-2-yl)-N-propylhexan-3-amine
CID 115820960
1-(1,3-dioxolan-2-yl)-N-propylbutan-2-amine
CID 103546362
4-methylsulfonyl-1-(oxolan-3-yl)-N-propylbutan-2-amine
CID 114982647
1-(1,3-dioxolan-2-yl)-3-ethoxy-N-propylpropan-2-amine
CID 103546950
5-methylsulfonyl-N-propyl-1-propylsulfanylpentan-2-amine
CID 65128638
5-ethylsulfonyl-1-methylsulfonyl-N-propylpentan-2-amine
CID 115646739
1-(4-methylmorpholin-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 79092505
1-cyclobutyl-N-ethyl-5-methylsulfonylpentan-2-amine
CID 103168351
1-(1,3-dioxolan-2-yl)-4-phenyl-N-propylbutan-2-amine
CID 103546421
4-methylsulfonyl-1-(oxan-3-yl)-N-propylbutan-1-amine
CID 65333768
1-cyclooctyl-4-methylsulfonyl-N-propylbutan-1-amine
CID 80610576

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-yl)-5-methylsulfonyl-N-propylpentan-2-amine?
The IUPAC name of 1-(1,3-dioxolan-2-yl)-5-methylsulfonyl-N-propylpentan-2-amine (CID 103546496) is 1-(1,3-dioxolan-2-yl)-5-methylsulfonyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(1,3-dioxolan-2-yl)-5-methylsulfonyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(1,3-dioxolan-2-yl)-5-methylsulfonyl-N-propylpentan-2-amine is CCCNC(CCCS(C)(=O)=O)CC1OCCO1.
What is the InChIKey of 1-(1,3-dioxolan-2-yl)-5-methylsulfonyl-N-propylpentan-2-amine?
The InChIKey is DQJHITVPPFYUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4S/c1-3-6-13-11(5-4-9-18(2,14)15)10-12-16-7-8-17-12/h11-13H,3-10H2,1-2H3.
What are the key properties of 1-(1,3-dioxolan-2-yl)-5-methylsulfonyl-N-propylpentan-2-amine?
1-(1,3-dioxolan-2-yl)-5-methylsulfonyl-N-propylpentan-2-amine has a molecular weight of 279.40 g/mol, XLogP of 0.94, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-yl)-5-methylsulfonyl-N-propylpentan-2-amine is sourced from PubChem (CID 103546496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).