N-(trihydroxy-λ4-sulfanyl)propan-2-amine

C3H11NO3S — CID 23575564

IUPACN-(trihydroxy-λ4-sulfanyl)propan-2-amine
SMILESCC(C)NS(O)(O)O
InChIInChI=1S/C3H11NO3S/c1-3(2)4-8(5,6)7/h3-7H,1-2H3
InChIKeyLNUADOIALDAACD-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.12
Rot. Bonds2

About N-(trihydroxy-λ4-sulfanyl)propan-2-amine

N-(trihydroxy-λ4-sulfanyl)propan-2-amine (PubChem CID 23575564) has the molecular formula C3H11NO3S and a molecular weight of 141.19 g/mol. Its IUPAC name is N-(trihydroxy-λ4-sulfanyl)propan-2-amine.

Molecular Properties

Compound NameN-(trihydroxy-λ4-sulfanyl)propan-2-amine
PubChem CID23575564
Molecular FormulaC3H11NO3S
Molecular Weight141.19 g/mol
Exact Mass141.05
IUPAC NameN-(trihydroxy-λ4-sulfanyl)propan-2-amine
SMILESCC(C)NS(O)(O)O
InChIInChI=1S/C3H11NO3S/c1-3(2)4-8(5,6)7/h3-7H,1-2H3
InChIKeyLNUADOIALDAACD-UHFFFAOYSA-N
XLogP1.12
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(trihydroxy-λ4-sulfanyl)propan-2-amine?
The IUPAC name of N-(trihydroxy-λ4-sulfanyl)propan-2-amine (CID 23575564) is N-(trihydroxy-λ4-sulfanyl)propan-2-amine.
What is the SMILES notation for N-(trihydroxy-λ4-sulfanyl)propan-2-amine?
The canonical SMILES for N-(trihydroxy-λ4-sulfanyl)propan-2-amine is CC(C)NS(O)(O)O.
What is the InChIKey of N-(trihydroxy-λ4-sulfanyl)propan-2-amine?
The InChIKey is LNUADOIALDAACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H11NO3S/c1-3(2)4-8(5,6)7/h3-7H,1-2H3.
What are the key properties of N-(trihydroxy-λ4-sulfanyl)propan-2-amine?
N-(trihydroxy-λ4-sulfanyl)propan-2-amine has a molecular weight of 141.19 g/mol, XLogP of 1.12, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trihydroxy-λ4-sulfanyl)propan-2-amine is sourced from PubChem (CID 23575564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).