3-(trimethoxy-λ4-sulfanyl)propan-1-amine

C6H17NO3S — CID 154533751

IUPAC3-(trimethoxy-λ4-sulfanyl)propan-1-amine
SMILESCOS(CCCN)(OC)OC
InChIInChI=1S/C6H17NO3S/c1-8-11(9-2,10-3)6-4-5-7/h4-7H2,1-3H3
InChIKeyGGBDMFFCNGKCAA-UHFFFAOYSA-N
MW183.27 g/mol
LogP0.82
Rot. Bonds6

About 3-(trimethoxy-λ4-sulfanyl)propan-1-amine

3-(trimethoxy-λ4-sulfanyl)propan-1-amine (PubChem CID 154533751) has the molecular formula C6H17NO3S and a molecular weight of 183.27 g/mol. Its IUPAC name is 3-(trimethoxy-λ4-sulfanyl)propan-1-amine.

Molecular Properties

Compound Name3-(trimethoxy-λ4-sulfanyl)propan-1-amine
PubChem CID154533751
Molecular FormulaC6H17NO3S
Molecular Weight183.27 g/mol
Exact Mass183.09
IUPAC Name3-(trimethoxy-λ4-sulfanyl)propan-1-amine
SMILESCOS(CCCN)(OC)OC
InChIInChI=1S/C6H17NO3S/c1-8-11(9-2,10-3)6-4-5-7/h4-7H2,1-3H3
InChIKeyGGBDMFFCNGKCAA-UHFFFAOYSA-N
XLogP0.82
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl hydrogen sulfate;pentan-1-amine
CID 173267345
methyl hydrogen sulfate;octadecan-1-amine
CID 173395931
3-[dihydroxy(methyl)-λ4-sulfanyl]propan-1-amine
CID 143992140
9-methylsulfonylnonan-1-amine
CID 101417644
3-[methoxy(dimethyl)silyl]propan-1-amine
CID 2733753
methanol;3-trimethoxysilylpropan-1-amine;hydrochloride
CID 174963553
ethane;methanol;bis(3-trimethoxysilylpropan-1-amine)
CID 158708863
dimethyl sulfate;octadecan-1-amine
CID 174658904
3-[3-(trimethoxy-λ4-sulfanyl)propoxy]aniline
CID 172622042
azane;3-methoxypropan-1-amine
CID 172866087
3-(3-aminopropylsulfonyl)propan-1-amine;dihydrochloride
CID 14585889
3-amino-N-(2-methoxypropyl)propane-1-sulfonamide
CID 102697740

Frequently Asked Questions

What is the IUPAC name of 3-(trimethoxy-λ4-sulfanyl)propan-1-amine?
The IUPAC name of 3-(trimethoxy-λ4-sulfanyl)propan-1-amine (CID 154533751) is 3-(trimethoxy-λ4-sulfanyl)propan-1-amine.
What is the SMILES notation for 3-(trimethoxy-λ4-sulfanyl)propan-1-amine?
The canonical SMILES for 3-(trimethoxy-λ4-sulfanyl)propan-1-amine is COS(CCCN)(OC)OC.
What is the InChIKey of 3-(trimethoxy-λ4-sulfanyl)propan-1-amine?
The InChIKey is GGBDMFFCNGKCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17NO3S/c1-8-11(9-2,10-3)6-4-5-7/h4-7H2,1-3H3.
What are the key properties of 3-(trimethoxy-λ4-sulfanyl)propan-1-amine?
3-(trimethoxy-λ4-sulfanyl)propan-1-amine has a molecular weight of 183.27 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trimethoxy-λ4-sulfanyl)propan-1-amine is sourced from PubChem (CID 154533751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).