N-(amino-hydroxy-methyl-λ4-sulfanyl)butan-1-amine

C5H16N2OS — CID 156709980

IUPACN-(amino-hydroxy-methyl-λ4-sulfanyl)butan-1-amine
SMILESCCCCNS(C)(N)O
InChIInChI=1S/C5H16N2OS/c1-3-4-5-7-9(2,6)8/h7-8H,3-6H2,1-2H3
InChIKeyNVTUTJUKQJVGSB-UHFFFAOYSA-N
MW152.26 g/mol
LogP1.07
Rot. Bonds4

About N-(amino-hydroxy-methyl-λ4-sulfanyl)butan-1-amine

N-(amino-hydroxy-methyl-λ4-sulfanyl)butan-1-amine (PubChem CID 156709980) has the molecular formula C5H16N2OS and a molecular weight of 152.26 g/mol. Its IUPAC name is N-(amino-hydroxy-methyl-λ4-sulfanyl)butan-1-amine.

Molecular Properties

Compound NameN-(amino-hydroxy-methyl-λ4-sulfanyl)butan-1-amine
PubChem CID156709980
Molecular FormulaC5H16N2OS
Molecular Weight152.26 g/mol
Exact Mass152.10
IUPAC NameN-(amino-hydroxy-methyl-λ4-sulfanyl)butan-1-amine
SMILESCCCCNS(C)(N)O
InChIInChI=1S/C5H16N2OS/c1-3-4-5-7-9(2,6)8/h7-8H,3-6H2,1-2H3
InChIKeyNVTUTJUKQJVGSB-UHFFFAOYSA-N
XLogP1.07
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.26
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(methylsulfonimidoyl)butan-1-amine
CID 119096122
ethane;N-[hydroxy(dimethyl)-lambda4-sulfanyl]propan-1-amine
CID 141880884
N-[dihydroxy(methyl)-lambda4-sulfanyl]ethanamine;ethane
CID 142156755
ethane;N-[hydroxy(dimethyl)-lambda4-sulfanyl]propan-1-amine
CID 142291440
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]propan-1-amine
CID 144268145
N-[dihydroxy(methyl)-lambda4-sulfanyl]propan-1-amine;molecular hydrogen
CID 144268216
N'-[dihydroxy(methyl)-lambda4-sulfanyl]propane-1,3-diamine
CID 144908954
N-[dihydroxy(methyl)-lambda4-sulfanyl]butan-1-amine;ethane
CID 153622737
N-[dihydroxy(methyl)-lambda4-sulfanyl]propan-1-amine;ethane
CID 162721887

Frequently Asked Questions

What is the IUPAC name of N-(amino-hydroxy-methyl-λ4-sulfanyl)butan-1-amine?
The IUPAC name of N-(amino-hydroxy-methyl-λ4-sulfanyl)butan-1-amine (CID 156709980) is N-(amino-hydroxy-methyl-λ4-sulfanyl)butan-1-amine.
What is the SMILES notation for N-(amino-hydroxy-methyl-λ4-sulfanyl)butan-1-amine?
The canonical SMILES for N-(amino-hydroxy-methyl-λ4-sulfanyl)butan-1-amine is CCCCNS(C)(N)O.
What is the InChIKey of N-(amino-hydroxy-methyl-λ4-sulfanyl)butan-1-amine?
The InChIKey is NVTUTJUKQJVGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H16N2OS/c1-3-4-5-7-9(2,6)8/h7-8H,3-6H2,1-2H3.
What are the key properties of N-(amino-hydroxy-methyl-λ4-sulfanyl)butan-1-amine?
N-(amino-hydroxy-methyl-λ4-sulfanyl)butan-1-amine has a molecular weight of 152.26 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(amino-hydroxy-methyl-λ4-sulfanyl)butan-1-amine is sourced from PubChem (CID 156709980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).