1-(1,1-dioxothiolan-3-yl)-5-methoxy-5-methyl-N-propylhexan-2-amine

C15H31NO3S — CID 103032216

IUPAC1-(1,1-dioxothiolan-3-yl)-5-methoxy-5-methyl-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)(C)OC)CC1CCS(=O)(=O)C1
InChIInChI=1S/C15H31NO3S/c1-5-9-16-14(6-8-15(2,3)19-4)11-13-7-10-20(17,18)12-13/h13-14,16H,5-12H2,1-4H3
InChIKeySRSNJYVWKXHYNS-UHFFFAOYSA-N
MW305.48 g/mol
LogP2.38
Rot. Bonds9

About 1-(1,1-dioxothiolan-3-yl)-5-methoxy-5-methyl-N-propylhexan-2-amine

1-(1,1-dioxothiolan-3-yl)-5-methoxy-5-methyl-N-propylhexan-2-amine (PubChem CID 103032216) has the molecular formula C15H31NO3S and a molecular weight of 305.48 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-5-methoxy-5-methyl-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-5-methoxy-5-methyl-N-propylhexan-2-amine
PubChem CID103032216
Molecular FormulaC15H31NO3S
Molecular Weight305.48 g/mol
Exact Mass305.20
IUPAC Name1-(1,1-dioxothiolan-3-yl)-5-methoxy-5-methyl-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)(C)OC)CC1CCS(=O)(=O)C1
InChIInChI=1S/C15H31NO3S/c1-5-9-16-14(6-8-15(2,3)19-4)11-13-7-10-20(17,18)12-13/h13-14,16H,5-12H2,1-4H3
InChIKeySRSNJYVWKXHYNS-UHFFFAOYSA-N
XLogP2.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.48
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-5-methoxy-5-methyl-N-propylhexan-2-amine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-5-methoxy-5-methyl-N-propylhexan-2-amine (CID 103032216) is 1-(1,1-dioxothiolan-3-yl)-5-methoxy-5-methyl-N-propylhexan-2-amine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-5-methoxy-5-methyl-N-propylhexan-2-amine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-5-methoxy-5-methyl-N-propylhexan-2-amine is CCCNC(CCC(C)(C)OC)CC1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-5-methoxy-5-methyl-N-propylhexan-2-amine?
The InChIKey is SRSNJYVWKXHYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3S/c1-5-9-16-14(6-8-15(2,3)19-4)11-13-7-10-20(17,18)12-13/h13-14,16H,5-12H2,1-4H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-5-methoxy-5-methyl-N-propylhexan-2-amine?
1-(1,1-dioxothiolan-3-yl)-5-methoxy-5-methyl-N-propylhexan-2-amine has a molecular weight of 305.48 g/mol, XLogP of 2.38, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-5-methoxy-5-methyl-N-propylhexan-2-amine is sourced from PubChem (CID 103032216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).