N-methyl-1-(2-methyl-1,1-dioxothiolan-3-yl)propan-1-amine

C9H19NO2S — CID 130624611

IUPACN-methyl-1-(2-methyl-1,1-dioxothiolan-3-yl)propan-1-amine
SMILESCCC(NC)C1CCS(=O)(=O)C1C
InChIInChI=1S/C9H19NO2S/c1-4-9(10-3)8-5-6-13(11,12)7(8)2/h7-10H,4-6H2,1-3H3
InChIKeyAGFZMGZKXXDLFA-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.81
Rot. Bonds3

About N-methyl-1-(2-methyl-1,1-dioxothiolan-3-yl)propan-1-amine

N-methyl-1-(2-methyl-1,1-dioxothiolan-3-yl)propan-1-amine (PubChem CID 130624611) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-1,1-dioxothiolan-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-1,1-dioxothiolan-3-yl)propan-1-amine
PubChem CID130624611
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-methyl-1-(2-methyl-1,1-dioxothiolan-3-yl)propan-1-amine
SMILESCCC(NC)C1CCS(=O)(=O)C1C
InChIInChI=1S/C9H19NO2S/c1-4-9(10-3)8-5-6-13(11,12)7(8)2/h7-10H,4-6H2,1-3H3
InChIKeyAGFZMGZKXXDLFA-UHFFFAOYSA-N
XLogP0.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-1,1-dioxothiolan-3-yl)propan-1-amine
CID 130699488
1-(2,4-dimethylcyclohexyl)-N-methylpropan-1-amine
CID 79308579
1-cyclopropyl-N-methylpropan-1-amine
CID 20693438
N-methyl-1-(2,4,4-trimethylcyclopentyl)propan-1-amine
CID 106664352
1-(1,1-dioxothian-2-yl)-N-methyldecan-1-amine
CID 115831653
1-(2,2-dimethylcyclohexyl)-N-methylpropan-1-amine
CID 79852591
(2R,3R)-2-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine
CID 167913931
N-(2-methyl-1,1-dioxothiolan-3-yl)propanamide
CID 130676489
1-(1,1-dioxothian-2-yl)-2-ethoxy-N-methylethanamine
CID 105008079
1-(1,1-dioxothian-2-yl)-N-methylpent-4-yn-1-amine
CID 115859440
N-methyl-1-spiro[4.5]decan-8-ylpropan-1-amine
CID 114820982
4-[1-(methylamino)propyl]cyclohexan-1-ol
CID 116956981

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-1,1-dioxothiolan-3-yl)propan-1-amine?
The IUPAC name of N-methyl-1-(2-methyl-1,1-dioxothiolan-3-yl)propan-1-amine (CID 130624611) is N-methyl-1-(2-methyl-1,1-dioxothiolan-3-yl)propan-1-amine.
What is the SMILES notation for N-methyl-1-(2-methyl-1,1-dioxothiolan-3-yl)propan-1-amine?
The canonical SMILES for N-methyl-1-(2-methyl-1,1-dioxothiolan-3-yl)propan-1-amine is CCC(NC)C1CCS(=O)(=O)C1C.
What is the InChIKey of N-methyl-1-(2-methyl-1,1-dioxothiolan-3-yl)propan-1-amine?
The InChIKey is AGFZMGZKXXDLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-4-9(10-3)8-5-6-13(11,12)7(8)2/h7-10H,4-6H2,1-3H3.
What are the key properties of N-methyl-1-(2-methyl-1,1-dioxothiolan-3-yl)propan-1-amine?
N-methyl-1-(2-methyl-1,1-dioxothiolan-3-yl)propan-1-amine has a molecular weight of 205.32 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-1,1-dioxothiolan-3-yl)propan-1-amine is sourced from PubChem (CID 130624611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).