N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine

C13H24N2O3S — CID 62256840

IUPACN-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESO=S1(=O)CCN(CC2(CNC3CC3)CCOC2)CC1
InChIInChI=1S/C13H24N2O3S/c16-19(17)7-4-15(5-8-19)10-13(3-6-18-11-13)9-14-12-1-2-12/h12,14H,1-11H2
InChIKeyNOPXOUDPQIKTJF-UHFFFAOYSA-N
MW288.41 g/mol
LogP-0.12
Rot. Bonds5

About N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine

N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 62256840) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
PubChem CID62256840
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC NameN-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESO=S1(=O)CCN(CC2(CNC3CC3)CCOC2)CC1
InChIInChI=1S/C13H24N2O3S/c16-19(17)7-4-15(5-8-19)10-13(3-6-18-11-13)9-14-12-1-2-12/h12,14H,1-11H2
InChIKeyNOPXOUDPQIKTJF-UHFFFAOYSA-N
XLogP-0.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 55051784
N-[[3-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 55056143
N-methyl-1,1-dioxo-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]thiolan-3-amine
CID 62255986
N-methyl-1,1-dioxo-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]thiolan-3-amine
CID 62255987
N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 62255988
N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 62256159
N-methyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]-1,1-dioxothiolan-3-amine
CID 62256160
1-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]-N-methylmethanamine
CID 62256663
N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]ethanamine
CID 62256664
N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62256839
N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 62257008
N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 62257009

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine (CID 62256840) is N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine is O=S1(=O)CCN(CC2(CNC3CC3)CCOC2)CC1.
What is the InChIKey of N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is NOPXOUDPQIKTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c16-19(17)7-4-15(5-8-19)10-13(3-6-18-11-13)9-14-12-1-2-12/h12,14H,1-11H2.
What are the key properties of N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 288.41 g/mol, XLogP of -0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62256840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).