N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]methanamine

C4H13NO2S — CID 143361278

IUPACN-[dihydroxy(propan-2-yl)-λ4-sulfanyl]methanamine
SMILESCNS(O)(O)C(C)C
InChIInChI=1S/C4H13NO2S/c1-4(2)8(6,7)5-3/h4-7H,1-3H3
InChIKeyCQRBEDIDRVQZQY-UHFFFAOYSA-N
MW139.22 g/mol
LogP1.28
Rot. Bonds2

About N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]methanamine

N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]methanamine (PubChem CID 143361278) has the molecular formula C4H13NO2S and a molecular weight of 139.22 g/mol. Its IUPAC name is N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]methanamine.

Molecular Properties

Compound NameN-[dihydroxy(propan-2-yl)-λ4-sulfanyl]methanamine
PubChem CID143361278
Molecular FormulaC4H13NO2S
Molecular Weight139.22 g/mol
Exact Mass139.07
IUPAC NameN-[dihydroxy(propan-2-yl)-λ4-sulfanyl]methanamine
SMILESCNS(O)(O)C(C)C
InChIInChI=1S/C4H13NO2S/c1-4(2)8(6,7)5-3/h4-7H,1-3H3
InChIKeyCQRBEDIDRVQZQY-UHFFFAOYSA-N
XLogP1.28
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(hydroxy-methyl-propan-2-yl-λ4-sulfanyl)methanamine
CID 123637558
methyl N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]carbamate
CID 176960686
sodium propane-2-sulfonic acid
CID 23363435
chloroform;methanesulfonic acid
CID 158495186
azane;methylsulfamic acid
CID 173138884
sulfuric acid;tetramethylphosphanium
CID 87132357
N-methylpropane-2-sulfonothioamide
CID 167163905
sodium;hydride;1-(methylamino)propane-2-sulfonic acid
CID 174188529
methanesulfonic acid;1-sulfanylethanol
CID 174795676
N-(methylsulfamoyl)hydroxylamine
CID 117126057
N-iodomethanamine;propan-2-ol
CID 175366064
methanesulfonic acid;methanetriol
CID 174918384

Frequently Asked Questions

What is the IUPAC name of N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]methanamine?
The IUPAC name of N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]methanamine (CID 143361278) is N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]methanamine.
What is the SMILES notation for N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]methanamine?
The canonical SMILES for N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]methanamine is CNS(O)(O)C(C)C.
What is the InChIKey of N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]methanamine?
The InChIKey is CQRBEDIDRVQZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13NO2S/c1-4(2)8(6,7)5-3/h4-7H,1-3H3.
What are the key properties of N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]methanamine?
N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]methanamine has a molecular weight of 139.22 g/mol, XLogP of 1.28, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]methanamine is sourced from PubChem (CID 143361278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).