ethane;N-methyl-3-[(1-oxothietan-1-ylidene)amino]propan-1-amine

C9H22N2OS — CID 145388817

IUPACethane;N-methyl-3-[(1-oxothietan-1-ylidene)amino]propan-1-amine
SMILESCC.CNCCCN=S1(=O)CCC1
InChIInChI=1S/C7H16N2OS.C2H6/c1-8-4-2-5-9-11(10)6-3-7-11;1-2/h8H,2-7H2,1H3;1-2H3
InChIKeyGNQHTIARNGYVHE-UHFFFAOYSA-N
MW206.35 g/mol
LogP1.49
Rot. Bonds4

About ethane;N-methyl-3-[(1-oxothietan-1-ylidene)amino]propan-1-amine

ethane;N-methyl-3-[(1-oxothietan-1-ylidene)amino]propan-1-amine (PubChem CID 145388817) has the molecular formula C9H22N2OS and a molecular weight of 206.35 g/mol. Its IUPAC name is ethane;N-methyl-3-[(1-oxothietan-1-ylidene)amino]propan-1-amine.

Molecular Properties

Compound Nameethane;N-methyl-3-[(1-oxothietan-1-ylidene)amino]propan-1-amine
PubChem CID145388817
Molecular FormulaC9H22N2OS
Molecular Weight206.35 g/mol
Exact Mass206.15
IUPAC Nameethane;N-methyl-3-[(1-oxothietan-1-ylidene)amino]propan-1-amine
SMILESCC.CNCCCN=S1(=O)CCC1
InChIInChI=1S/C7H16N2OS.C2H6/c1-8-4-2-5-9-11(10)6-3-7-11;1-2/h8H,2-7H2,1H3;1-2H3
InChIKeyGNQHTIARNGYVHE-UHFFFAOYSA-N
XLogP1.49
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(Azetidin-3-yl)(imino)methyl-lambda6-sulfanone
CID 132081669
N-ethyl-3-(methylsulfonimidoyl)propan-1-amine
CID 121358940
N-methyl-3-(methylsulfonimidoyl)propan-1-amine
CID 121360931
2-(amino-dimethyl-oxo-lambda6-sulfanyl)-N-methylethanamine
CID 122550822
N-[3-(methylamino)propyl]ethanesulfinamide
CID 126639040
N-methyl-3-[(1-oxothiolan-1-ylidene)amino]propan-1-amine
CID 132081661
N,N-dimethyl-3-[(1-oxothietan-1-ylidene)amino]propan-1-amine
CID 132081905
N-methyl-2-[(1-oxothietan-1-ylidene)amino]ethanamine
CID 132082181
N-methyl-3-[(1-oxothietan-1-ylidene)amino]propan-1-amine
CID 132082182
N-methyl-2-[trimethyl(oxo)-lambda6-sulfanyl]propan-1-amine
CID 135301519
3-[[dimethyl(oxo)-lambda6-sulfanylidene]amino]-N-methylpropan-1-amine;ethane
CID 145388867
N-(azetidin-3-ylmethyl)-2-methylsulfinylethanamine
CID 84655744

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-3-[(1-oxothietan-1-ylidene)amino]propan-1-amine?
The IUPAC name of ethane;N-methyl-3-[(1-oxothietan-1-ylidene)amino]propan-1-amine (CID 145388817) is ethane;N-methyl-3-[(1-oxothietan-1-ylidene)amino]propan-1-amine.
What is the SMILES notation for ethane;N-methyl-3-[(1-oxothietan-1-ylidene)amino]propan-1-amine?
The canonical SMILES for ethane;N-methyl-3-[(1-oxothietan-1-ylidene)amino]propan-1-amine is CC.CNCCCN=S1(=O)CCC1.
What is the InChIKey of ethane;N-methyl-3-[(1-oxothietan-1-ylidene)amino]propan-1-amine?
The InChIKey is GNQHTIARNGYVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS.C2H6/c1-8-4-2-5-9-11(10)6-3-7-11;1-2/h8H,2-7H2,1H3;1-2H3.
What are the key properties of ethane;N-methyl-3-[(1-oxothietan-1-ylidene)amino]propan-1-amine?
ethane;N-methyl-3-[(1-oxothietan-1-ylidene)amino]propan-1-amine has a molecular weight of 206.35 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-3-[(1-oxothietan-1-ylidene)amino]propan-1-amine is sourced from PubChem (CID 145388817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).