N-methyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]-1,1-dioxothiolan-3-amine

C15H30N2O3S — CID 62256160

IUPACN-methyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]-1,1-dioxothiolan-3-amine
SMILESCC(C)CNCC1(CN(C)C2CCS(=O)(=O)C2)CCOC1
InChIInChI=1S/C15H30N2O3S/c1-13(2)8-16-10-15(5-6-20-12-15)11-17(3)14-4-7-21(18,19)9-14/h13-14,16H,4-12H2,1-3H3
InChIKeyLEBWCBVYIPDXGA-UHFFFAOYSA-N
MW318.48 g/mol
LogP0.76
Rot. Bonds7

About N-methyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]-1,1-dioxothiolan-3-amine

N-methyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]-1,1-dioxothiolan-3-amine (PubChem CID 62256160) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is N-methyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-methyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]-1,1-dioxothiolan-3-amine
PubChem CID62256160
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC NameN-methyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]-1,1-dioxothiolan-3-amine
SMILESCC(C)CNCC1(CN(C)C2CCS(=O)(=O)C2)CCOC1
InChIInChI=1S/C15H30N2O3S/c1-13(2)8-16-10-15(5-6-20-12-15)11-17(3)14-4-7-21(18,19)9-14/h13-14,16H,4-12H2,1-3H3
InChIKeyLEBWCBVYIPDXGA-UHFFFAOYSA-N
XLogP0.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]-1,1-dioxothiolan-3-amine?
The IUPAC name of N-methyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]-1,1-dioxothiolan-3-amine (CID 62256160) is N-methyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-methyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-methyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]-1,1-dioxothiolan-3-amine is CC(C)CNCC1(CN(C)C2CCS(=O)(=O)C2)CCOC1.
What is the InChIKey of N-methyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]-1,1-dioxothiolan-3-amine?
The InChIKey is LEBWCBVYIPDXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-13(2)8-16-10-15(5-6-20-12-15)11-17(3)14-4-7-21(18,19)9-14/h13-14,16H,4-12H2,1-3H3.
What are the key properties of N-methyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]-1,1-dioxothiolan-3-amine?
N-methyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]-1,1-dioxothiolan-3-amine has a molecular weight of 318.48 g/mol, XLogP of 0.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 62256160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).