(2R)-2-amino-3-(3-aminopropylsulfanyl)propan-1-ol

C6H16N2OS — CID 23644529

IUPAC(2R)-2-amino-3-(3-aminopropylsulfanyl)propan-1-ol
SMILESNCCCSC[C@H](N)CO
InChIInChI=1S/C6H16N2OS/c7-2-1-3-10-5-6(8)4-9/h6,9H,1-5,7-8H2/t6-/m1/s1
InChIKeyRYOVYWMBACBGOD-ZCFIWIBFSA-N
MW164.27 g/mol
LogP-0.61
Rot. Bonds6

About (2R)-2-amino-3-(3-aminopropylsulfanyl)propan-1-ol

(2R)-2-amino-3-(3-aminopropylsulfanyl)propan-1-ol (PubChem CID 23644529) has the molecular formula C6H16N2OS and a molecular weight of 164.27 g/mol. Its IUPAC name is (2R)-2-amino-3-(3-aminopropylsulfanyl)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-3-(3-aminopropylsulfanyl)propan-1-ol
PubChem CID23644529
Molecular FormulaC6H16N2OS
Molecular Weight164.27 g/mol
Exact Mass164.10
IUPAC Name(2R)-2-amino-3-(3-aminopropylsulfanyl)propan-1-ol
SMILESNCCCSC[C@H](N)CO
InChIInChI=1S/C6H16N2OS/c7-2-1-3-10-5-6(8)4-9/h6,9H,1-5,7-8H2/t6-/m1/s1
InChIKeyRYOVYWMBACBGOD-ZCFIWIBFSA-N
XLogP-0.61
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

L-Methioninol
CID 2724404
1-Propanol, 3,3'-dithiobis(2-amino-
CID 120701
Methioninol, (+-)-
CID 102901
3,3'-(Methylenedisulfanediyl)bis(2-aminopropan-1-ol)
CID 3052358
3,3'-(Butane-1,4-diyldisulfanediyl)bis(2-aminopropan-1-ol)
CID 3052359
3,3'-(Hexane-1,6-diyldisulfanediyl)bis(2-aminopropan-1-ol)
CID 3052360
4,4'-(Hexane-1,6-diyldisulfanediyl)bis(2-aminobutan-1-ol)
CID 3052363
(2R)-2-amino-4-(methylsulfanyl)butan-1-ol
CID 7000073
3-(2-Aminoethylthio)propanol
CID 43249438
(2R)-2-amino-3-(methylsulfanyl)propan-1-ol
CID 12025967
4-Aminotetrahydrothiophen-3-ol
CID 2865115
2-Amino-3-(methylsulfanyl)propan-1-ol
CID 328698

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(3-aminopropylsulfanyl)propan-1-ol?
The IUPAC name of (2R)-2-amino-3-(3-aminopropylsulfanyl)propan-1-ol (CID 23644529) is (2R)-2-amino-3-(3-aminopropylsulfanyl)propan-1-ol.
What is the SMILES notation for (2R)-2-amino-3-(3-aminopropylsulfanyl)propan-1-ol?
The canonical SMILES for (2R)-2-amino-3-(3-aminopropylsulfanyl)propan-1-ol is NCCCSC[C@H](N)CO.
What is the InChIKey of (2R)-2-amino-3-(3-aminopropylsulfanyl)propan-1-ol?
The InChIKey is RYOVYWMBACBGOD-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H16N2OS/c7-2-1-3-10-5-6(8)4-9/h6,9H,1-5,7-8H2/t6-/m1/s1.
What are the key properties of (2R)-2-amino-3-(3-aminopropylsulfanyl)propan-1-ol?
(2R)-2-amino-3-(3-aminopropylsulfanyl)propan-1-ol has a molecular weight of 164.27 g/mol, XLogP of -0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(3-aminopropylsulfanyl)propan-1-ol is sourced from PubChem (CID 23644529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).