N-methyl-1,1-dioxo-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]thiolan-3-amine

C14H28N2O3S — CID 62255987

IUPACN-methyl-1,1-dioxo-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]thiolan-3-amine
SMILESCC(C)NCC1(CN(C)C2CCS(=O)(=O)C2)CCOC1
InChIInChI=1S/C14H28N2O3S/c1-12(2)15-9-14(5-6-19-11-14)10-16(3)13-4-7-20(17,18)8-13/h12-13,15H,4-11H2,1-3H3
InChIKeyLJCDDARBXHMKLL-UHFFFAOYSA-N
MW304.46 g/mol
LogP0.51
Rot. Bonds6

About N-methyl-1,1-dioxo-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]thiolan-3-amine

N-methyl-1,1-dioxo-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]thiolan-3-amine (PubChem CID 62255987) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-methyl-1,1-dioxo-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]thiolan-3-amine.

Molecular Properties

Compound NameN-methyl-1,1-dioxo-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]thiolan-3-amine
PubChem CID62255987
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN-methyl-1,1-dioxo-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]thiolan-3-amine
SMILESCC(C)NCC1(CN(C)C2CCS(=O)(=O)C2)CCOC1
InChIInChI=1S/C14H28N2O3S/c1-12(2)15-9-14(5-6-19-11-14)10-16(3)13-4-7-20(17,18)8-13/h12-13,15H,4-11H2,1-3H3
InChIKeyLJCDDARBXHMKLL-UHFFFAOYSA-N
XLogP0.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1,1-dioxo-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]thiolan-3-amine?
The IUPAC name of N-methyl-1,1-dioxo-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]thiolan-3-amine (CID 62255987) is N-methyl-1,1-dioxo-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]thiolan-3-amine.
What is the SMILES notation for N-methyl-1,1-dioxo-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]thiolan-3-amine?
The canonical SMILES for N-methyl-1,1-dioxo-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]thiolan-3-amine is CC(C)NCC1(CN(C)C2CCS(=O)(=O)C2)CCOC1.
What is the InChIKey of N-methyl-1,1-dioxo-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]thiolan-3-amine?
The InChIKey is LJCDDARBXHMKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-12(2)15-9-14(5-6-19-11-14)10-16(3)13-4-7-20(17,18)8-13/h12-13,15H,4-11H2,1-3H3.
What are the key properties of N-methyl-1,1-dioxo-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]thiolan-3-amine?
N-methyl-1,1-dioxo-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]thiolan-3-amine has a molecular weight of 304.46 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,1-dioxo-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]thiolan-3-amine is sourced from PubChem (CID 62255987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).