[[(2R)-2-aminopropyl]amino]methanethiol

C4H12N2S — CID 163875264

IUPAC[[(2R)-2-aminopropyl]amino]methanethiol
SMILESC[C@@H](N)CNCS
InChIInChI=1S/C4H12N2S/c1-4(5)2-6-3-7/h4,6-7H,2-3,5H2,1H3/t4-/m1/s1
InChIKeyPOHUIGAAKDHTCZ-SCSAIBSYSA-N
MW120.22 g/mol
LogP-0.19
Rot. Bonds3

About [[(2R)-2-aminopropyl]amino]methanethiol

[[(2R)-2-aminopropyl]amino]methanethiol (PubChem CID 163875264) has the molecular formula C4H12N2S and a molecular weight of 120.22 g/mol. Its IUPAC name is [[(2R)-2-aminopropyl]amino]methanethiol.

Molecular Properties

Compound Name[[(2R)-2-aminopropyl]amino]methanethiol
PubChem CID163875264
Molecular FormulaC4H12N2S
Molecular Weight120.22 g/mol
Exact Mass120.07
IUPAC Name[[(2R)-2-aminopropyl]amino]methanethiol
SMILESC[C@@H](N)CNCS
InChIInChI=1S/C4H12N2S/c1-4(5)2-6-3-7/h4,6-7H,2-3,5H2,1H3/t4-/m1/s1
InChIKeyPOHUIGAAKDHTCZ-SCSAIBSYSA-N
XLogP-0.19
TPSA38.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.22
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

ethane;1-N-ethylpropane-1,2-diamine;propane
CID 145389769
N'-(2-aminopropyl)-2-methylpropane-1,3-diamine
CID 168896832
(2S)-1-N-[2-[2-[[(2S)-2-aminopropyl]amino]ethoxy]ethyl]propane-1,2-diamine
CID 11806174
(2S)-1-N-propan-2-ylpropane-1,2-diamine
CID 11480427
(2-aminopropylamino)methylphosphonic acid
CID 174921252
1-N-[(2,4,5-trimethylphenyl)methyl]propane-1,2-diamine
CID 115196543
methyl 2-(2-aminopropylamino)acetate
CID 54010376
1-N-[2-[dimethylsilyl(methyl)silyl]ethyl]propane-1,2-diamine
CID 175201486
(2R)-1-N-[(Z)-2-[[(2R)-2-aminopropyl]amino]ethenyl]propane-1,2-diamine
CID 42627802
2-N-[2-[2-(2-aminopropylamino)propylamino]propyl]propane-1,2-diamine
CID 14795132
1-N-[(1-methylcyclopentyl)methyl]propane-1,2-diamine
CID 63831246
1-N-[3-(11-methyldodecylsulfanyl)propyl]propane-1,2-diamine
CID 21488148

Frequently Asked Questions

What is the IUPAC name of [[(2R)-2-aminopropyl]amino]methanethiol?
The IUPAC name of [[(2R)-2-aminopropyl]amino]methanethiol (CID 163875264) is [[(2R)-2-aminopropyl]amino]methanethiol.
What is the SMILES notation for [[(2R)-2-aminopropyl]amino]methanethiol?
The canonical SMILES for [[(2R)-2-aminopropyl]amino]methanethiol is C[C@@H](N)CNCS.
What is the InChIKey of [[(2R)-2-aminopropyl]amino]methanethiol?
The InChIKey is POHUIGAAKDHTCZ-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H12N2S/c1-4(5)2-6-3-7/h4,6-7H,2-3,5H2,1H3/t4-/m1/s1.
What are the key properties of [[(2R)-2-aminopropyl]amino]methanethiol?
[[(2R)-2-aminopropyl]amino]methanethiol has a molecular weight of 120.22 g/mol, XLogP of -0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2R)-2-aminopropyl]amino]methanethiol is sourced from PubChem (CID 163875264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).