N-(hydroxy-methyl-propan-2-yl-λ4-sulfanyl)methanamine

C5H15NOS — CID 123637558

IUPACN-(hydroxy-methyl-propan-2-yl-λ4-sulfanyl)methanamine
SMILESCNS(C)(O)C(C)C
InChIInChI=1S/C5H15NOS/c1-5(2)8(4,7)6-3/h5-7H,1-4H3
InChIKeyUISCFAAZKLZAAN-UHFFFAOYSA-N
MW137.25 g/mol
LogP1.44
Rot. Bonds2

About N-(hydroxy-methyl-propan-2-yl-λ4-sulfanyl)methanamine

N-(hydroxy-methyl-propan-2-yl-λ4-sulfanyl)methanamine (PubChem CID 123637558) has the molecular formula C5H15NOS and a molecular weight of 137.25 g/mol. Its IUPAC name is N-(hydroxy-methyl-propan-2-yl-λ4-sulfanyl)methanamine.

Molecular Properties

Compound NameN-(hydroxy-methyl-propan-2-yl-λ4-sulfanyl)methanamine
PubChem CID123637558
Molecular FormulaC5H15NOS
Molecular Weight137.25 g/mol
Exact Mass137.09
IUPAC NameN-(hydroxy-methyl-propan-2-yl-λ4-sulfanyl)methanamine
SMILESCNS(C)(O)C(C)C
InChIInChI=1S/C5H15NOS/c1-5(2)8(4,7)6-3/h5-7H,1-4H3
InChIKeyUISCFAAZKLZAAN-UHFFFAOYSA-N
XLogP1.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.25
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]methanamine
CID 143361278
chloroform;methanesulfonic acid
CID 158495186
methanesulfonic acid;1-sulfanylethanol
CID 174795676
methanesulfonic acid;methanetriol
CID 174918384
azane;methylsulfamic acid
CID 173138884
sodium propane-2-sulfonic acid
CID 23363435
sulfuric acid;tetramethylphosphanium
CID 87132357
methane;methanesulfonic acid
CID 87535456
CID 72786756
CID 72786756
methanesulfonic acid;hydrate
CID 87278985
hydron;methanesulfonic acid
CID 19767432
methanesulfonic acid;stibane
CID 173129060

Frequently Asked Questions

What is the IUPAC name of N-(hydroxy-methyl-propan-2-yl-λ4-sulfanyl)methanamine?
The IUPAC name of N-(hydroxy-methyl-propan-2-yl-λ4-sulfanyl)methanamine (CID 123637558) is N-(hydroxy-methyl-propan-2-yl-λ4-sulfanyl)methanamine.
What is the SMILES notation for N-(hydroxy-methyl-propan-2-yl-λ4-sulfanyl)methanamine?
The canonical SMILES for N-(hydroxy-methyl-propan-2-yl-λ4-sulfanyl)methanamine is CNS(C)(O)C(C)C.
What is the InChIKey of N-(hydroxy-methyl-propan-2-yl-λ4-sulfanyl)methanamine?
The InChIKey is UISCFAAZKLZAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15NOS/c1-5(2)8(4,7)6-3/h5-7H,1-4H3.
What are the key properties of N-(hydroxy-methyl-propan-2-yl-λ4-sulfanyl)methanamine?
N-(hydroxy-methyl-propan-2-yl-λ4-sulfanyl)methanamine has a molecular weight of 137.25 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydroxy-methyl-propan-2-yl-λ4-sulfanyl)methanamine is sourced from PubChem (CID 123637558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).