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

C14H26N2O3S — CID 62255988

IUPACN-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCN(CC1(CNC2CC2)CCOC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H26N2O3S/c1-16(13-4-7-20(17,18)8-13)10-14(5-6-19-11-14)9-15-12-2-3-12/h12-13,15H,2-11H2,1H3
InChIKeyDSMQPZSMHPUOAG-UHFFFAOYSA-N
MW302.44 g/mol
LogP0.26
Rot. Bonds6

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

N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine (PubChem CID 62255988) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
PubChem CID62255988
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC NameN-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCN(CC1(CNC2CC2)CCOC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H26N2O3S/c1-16(13-4-7-20(17,18)8-13)10-14(5-6-19-11-14)9-15-12-2-3-12/h12-13,15H,2-11H2,1H3
InChIKeyDSMQPZSMHPUOAG-UHFFFAOYSA-N
XLogP0.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine (CID 62255988) is N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine is CN(CC1(CNC2CC2)CCOC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is DSMQPZSMHPUOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-16(13-4-7-20(17,18)8-13)10-14(5-6-19-11-14)9-15-12-2-3-12/h12-13,15H,2-11H2,1H3.
What are the key properties of N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine?
N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 302.44 g/mol, XLogP of 0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 62255988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).