N-[dihydroxy(methyl)-λ4-sulfanyl]-3-methylbutan-1-amine

C6H17NO2S — CID 153329727

IUPACN-[dihydroxy(methyl)-λ4-sulfanyl]-3-methylbutan-1-amine
SMILESCC(C)CCNS(C)(O)O
InChIInChI=1S/C6H17NO2S/c1-6(2)4-5-7-10(3,8)9/h6-9H,4-5H2,1-3H3
InChIKeyPHIKPBUVHPZXPR-UHFFFAOYSA-N
MW167.27 g/mol
LogP1.92
Rot. Bonds4

About N-[dihydroxy(methyl)-λ4-sulfanyl]-3-methylbutan-1-amine

N-[dihydroxy(methyl)-λ4-sulfanyl]-3-methylbutan-1-amine (PubChem CID 153329727) has the molecular formula C6H17NO2S and a molecular weight of 167.27 g/mol. Its IUPAC name is N-[dihydroxy(methyl)-λ4-sulfanyl]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-[dihydroxy(methyl)-λ4-sulfanyl]-3-methylbutan-1-amine
PubChem CID153329727
Molecular FormulaC6H17NO2S
Molecular Weight167.27 g/mol
Exact Mass167.10
IUPAC NameN-[dihydroxy(methyl)-λ4-sulfanyl]-3-methylbutan-1-amine
SMILESCC(C)CCNS(C)(O)O
InChIInChI=1S/C6H17NO2S/c1-6(2)4-5-7-10(3,8)9/h6-9H,4-5H2,1-3H3
InChIKeyPHIKPBUVHPZXPR-UHFFFAOYSA-N
XLogP1.92
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.27
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[dihydroxy(methyl)-lambda4-sulfanyl]butan-1-amine;ethane;molecular hydrogen
CID 144267996
N-[dihydroxy(methyl)-lambda4-sulfanyl]butan-1-amine
CID 144267997
N-[dihydroxy(methyl)-lambda4-sulfanyl]propan-1-amine;ethane;molecular hydrogen
CID 144268144
N-[dihydroxy(methyl)-lambda4-sulfanyl]-4-methylpentan-1-amine
CID 144305770
N-[dihydroxy(methyl)-lambda4-sulfanyl]-3-methylbutan-2-amine
CID 153397461
N-[dihydroxy(propan-2-yl)-lambda4-sulfanyl]-2-methylpropan-1-amine
CID 153397617
N-[dihydroxy(methyl)-lambda4-sulfanyl]butan-1-amine;ethane
CID 153622737
N-[dihydroxy(methyl)-lambda4-sulfanyl]-3,3-dimethylbutan-1-amine
CID 155782491
N-[dihydroxy(methyl)-lambda4-sulfanyl]propan-1-amine;ethane
CID 162721887
N-[dihydroxy(methyl)-lambda4-sulfanyl]-2-methylpropan-1-amine
CID 166120513
N-[dihydroxy(methyl)-lambda4-sulfanyl]-2-methylpropan-1-amine;ethane
CID 166557752
N-[ethyl(dihydroxy)-lambda4-sulfanyl]-2-methylpropan-1-amine
CID 170610211

Frequently Asked Questions

What is the IUPAC name of N-[dihydroxy(methyl)-λ4-sulfanyl]-3-methylbutan-1-amine?
The IUPAC name of N-[dihydroxy(methyl)-λ4-sulfanyl]-3-methylbutan-1-amine (CID 153329727) is N-[dihydroxy(methyl)-λ4-sulfanyl]-3-methylbutan-1-amine.
What is the SMILES notation for N-[dihydroxy(methyl)-λ4-sulfanyl]-3-methylbutan-1-amine?
The canonical SMILES for N-[dihydroxy(methyl)-λ4-sulfanyl]-3-methylbutan-1-amine is CC(C)CCNS(C)(O)O.
What is the InChIKey of N-[dihydroxy(methyl)-λ4-sulfanyl]-3-methylbutan-1-amine?
The InChIKey is PHIKPBUVHPZXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17NO2S/c1-6(2)4-5-7-10(3,8)9/h6-9H,4-5H2,1-3H3.
What are the key properties of N-[dihydroxy(methyl)-λ4-sulfanyl]-3-methylbutan-1-amine?
N-[dihydroxy(methyl)-λ4-sulfanyl]-3-methylbutan-1-amine has a molecular weight of 167.27 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dihydroxy(methyl)-λ4-sulfanyl]-3-methylbutan-1-amine is sourced from PubChem (CID 153329727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).