N-methyl-3-(methylsulfonimidoyl)propan-1-amine

C5H14N2OS — CID 121360931

IUPACN-methyl-3-(methylsulfonimidoyl)propan-1-amine
SMILES[H]N=S(C)(=O)CCCNC
InChIInChI=1S/C5H14N2OS/c1-7-4-3-5-9(2,6)8/h6-7H,3-5H2,1-2H3
InChIKeyJCJGBWQYZVBCRR-UHFFFAOYSA-N
MW150.25 g/mol
LogP0.27
Rot. Bonds4

About N-methyl-3-(methylsulfonimidoyl)propan-1-amine

N-methyl-3-(methylsulfonimidoyl)propan-1-amine (PubChem CID 121360931) has the molecular formula C5H14N2OS and a molecular weight of 150.25 g/mol. Its IUPAC name is N-methyl-3-(methylsulfonimidoyl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(methylsulfonimidoyl)propan-1-amine
PubChem CID121360931
Molecular FormulaC5H14N2OS
Molecular Weight150.25 g/mol
Exact Mass150.08
IUPAC NameN-methyl-3-(methylsulfonimidoyl)propan-1-amine
SMILES[H]N=S(C)(=O)CCCNC
InChIInChI=1S/C5H14N2OS/c1-7-4-3-5-9(2,6)8/h6-7H,3-5H2,1-2H3
InChIKeyJCJGBWQYZVBCRR-UHFFFAOYSA-N
XLogP0.27
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.25
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Imino(methyl)(pyrrolidin-3-yl)-lambda6-sulfanone
CID 132081753
1-Imino-1lambda6,4-thiazepan-1-one
CID 132398931
(3-Methanesulfonylpropyl)(methyl)amine hydrochloride
CID 137952128
(3-Methanesulfonylpropyl)(methyl)amine
CID 22277805
(Azetidin-3-yl)(imino)methyl-lambda6-sulfanone
CID 132081669
N-[3-[(R)-methylsulfinyl]propyl]methanethioamide
CID 162639628
N-(2-fluoroethyl)-3-methylsulfinylpropan-1-amine
CID 116204926
3-fluoro-N-(3-methylsulfinylpropyl)propan-1-amine
CID 116205227
1-Imino-3-(methylamino)-1lambda6-thiolan-1-one
CID 131258374
[(Azetidin-3-yl)methyl](imino)methyl-lambda6-sulfanone
CID 139026528
N-ethyl-3-propylsulfinylpropan-1-amine
CID 15066866
N-ethyl-3-methylsulfinylpropan-1-amine
CID 20077283

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(methylsulfonimidoyl)propan-1-amine?
The IUPAC name of N-methyl-3-(methylsulfonimidoyl)propan-1-amine (CID 121360931) is N-methyl-3-(methylsulfonimidoyl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(methylsulfonimidoyl)propan-1-amine?
The canonical SMILES for N-methyl-3-(methylsulfonimidoyl)propan-1-amine is [H]N=S(C)(=O)CCCNC.
What is the InChIKey of N-methyl-3-(methylsulfonimidoyl)propan-1-amine?
The InChIKey is JCJGBWQYZVBCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2OS/c1-7-4-3-5-9(2,6)8/h6-7H,3-5H2,1-2H3.
What are the key properties of N-methyl-3-(methylsulfonimidoyl)propan-1-amine?
N-methyl-3-(methylsulfonimidoyl)propan-1-amine has a molecular weight of 150.25 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(methylsulfonimidoyl)propan-1-amine is sourced from PubChem (CID 121360931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).