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

C13H25NO3S — CID 55106931

IUPACN-[[1,1-dioxo-3-(oxolan-2-ylmethyl)thiolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CC2CCCO2)CCS(=O)(=O)C1
InChIInChI=1S/C13H25NO3S/c1-11(2)14-9-13(5-7-18(15,16)10-13)8-12-4-3-6-17-12/h11-12,14H,3-10H2,1-2H3
InChIKeyQQFZTNUOYKQBAX-UHFFFAOYSA-N
MW275.41 g/mol
LogP1.36
Rot. Bonds5

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

N-[[1,1-dioxo-3-(oxolan-2-ylmethyl)thiolan-3-yl]methyl]propan-2-amine (PubChem CID 55106931) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is N-[[1,1-dioxo-3-(oxolan-2-ylmethyl)thiolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1,1-dioxo-3-(oxolan-2-ylmethyl)thiolan-3-yl]methyl]propan-2-amine
PubChem CID55106931
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC NameN-[[1,1-dioxo-3-(oxolan-2-ylmethyl)thiolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CC2CCCO2)CCS(=O)(=O)C1
InChIInChI=1S/C13H25NO3S/c1-11(2)14-9-13(5-7-18(15,16)10-13)8-12-4-3-6-17-12/h11-12,14H,3-10H2,1-2H3
InChIKeyQQFZTNUOYKQBAX-UHFFFAOYSA-N
XLogP1.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1,1-dioxo-3-(oxolan-2-ylmethyl)thiolan-3-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-methyl-1-[1-(oxolan-2-ylmethyl)cyclopropyl]methanamine
CID 66025753
2-[[1-(3-methylbutyl)cyclohexyl]methyl]oxolane
CID 174522535
[1-(oxolan-2-ylmethyl)cyclohexyl]methanol
CID 66024131
[1-(oxolan-2-ylmethyl)cyclooctyl]methanamine
CID 80603057
N-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride
CID 172772952
N-[[4-(1,1-dioxothiolan-3-yl)oxan-4-yl]methyl]propan-2-amine
CID 62907476
N-[[1-(oxan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine
CID 62106678
2-methoxy-N-[[1-(oxolan-2-ylmethyl)cyclohexyl]methyl]ethanamine
CID 55106983
3-(aminomethyl)-1,1-dioxo-N-(oxolan-2-ylmethyl)thian-3-amine
CID 65377567
5-(oxolan-2-yl)-N-propan-2-ylpentan-1-amine
CID 65166491
N-[[1-(1,1-dioxothiolan-3-yl)cyclobutyl]methyl]propan-2-amine
CID 65194272
N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentyl]methyl]propan-2-amine
CID 102900330

Frequently Asked Questions

What is the IUPAC name of N-[[1,1-dioxo-3-(oxolan-2-ylmethyl)thiolan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1,1-dioxo-3-(oxolan-2-ylmethyl)thiolan-3-yl]methyl]propan-2-amine (CID 55106931) is N-[[1,1-dioxo-3-(oxolan-2-ylmethyl)thiolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1,1-dioxo-3-(oxolan-2-ylmethyl)thiolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1,1-dioxo-3-(oxolan-2-ylmethyl)thiolan-3-yl]methyl]propan-2-amine is CC(C)NCC1(CC2CCCO2)CCS(=O)(=O)C1.
What is the InChIKey of N-[[1,1-dioxo-3-(oxolan-2-ylmethyl)thiolan-3-yl]methyl]propan-2-amine?
The InChIKey is QQFZTNUOYKQBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3S/c1-11(2)14-9-13(5-7-18(15,16)10-13)8-12-4-3-6-17-12/h11-12,14H,3-10H2,1-2H3.
What are the key properties of N-[[1,1-dioxo-3-(oxolan-2-ylmethyl)thiolan-3-yl]methyl]propan-2-amine?
N-[[1,1-dioxo-3-(oxolan-2-ylmethyl)thiolan-3-yl]methyl]propan-2-amine has a molecular weight of 275.41 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1,1-dioxo-3-(oxolan-2-ylmethyl)thiolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 55106931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).