(2S)-2,5-diaminopentane-1-thiol

C5H14N2S — CID 175679057

IUPAC(2S)-2,5-diaminopentane-1-thiol
SMILESNCCC[C@H](N)CS
InChIInChI=1S/C5H14N2S/c6-3-1-2-5(7)4-8/h5,8H,1-4,6-7H2/t5-/m0/s1
InChIKeyZKIRSVRGIKLJFI-YFKPBYRVSA-N
MW134.25 g/mol
LogP-0.02
Rot. Bonds4

About (2S)-2,5-diaminopentane-1-thiol

(2S)-2,5-diaminopentane-1-thiol (PubChem CID 175679057) has the molecular formula C5H14N2S and a molecular weight of 134.25 g/mol. Its IUPAC name is (2S)-2,5-diaminopentane-1-thiol.

Molecular Properties

Compound Name(2S)-2,5-diaminopentane-1-thiol
PubChem CID175679057
Molecular FormulaC5H14N2S
Molecular Weight134.25 g/mol
Exact Mass134.09
IUPAC Name(2S)-2,5-diaminopentane-1-thiol
SMILESNCCC[C@H](N)CS
InChIInChI=1S/C5H14N2S/c6-3-1-2-5(7)4-8/h5,8H,1-4,6-7H2/t5-/m0/s1
InChIKeyZKIRSVRGIKLJFI-YFKPBYRVSA-N
XLogP-0.02
TPSA52.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.25
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (2S)-2,5-diaminopentane-1-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tridecane-1,4,7,10,13-pentamine
CID 86224803
heptane-1,4,7-triamine;tetrahydrochloride
CID 172714614
octane-1,4,8-triamine
CID 18544198
pentacosane-1,13,25-triamine
CID 174653759
5-aminopentane-1,2-dithiol
CID 166165559
hexane-1,4-diamine;hydrochloride
CID 118144198
heptane-1,4-diamine
CID 18547393
hexane-1,4-diamine;trihydrate
CID 173409010
tridecane-1,4,7,10-tetramine
CID 175128174
hept-6-yne-1,4-diamine
CID 174445118
7-N-[3-(3-aminopropylamino)propyl]heptane-1,4,7-triamine
CID 172704929
(3R)-3,6-diaminohexanoic acid;3,6-diaminohexanoic acid
CID 87126167

Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-diaminopentane-1-thiol?
The IUPAC name of (2S)-2,5-diaminopentane-1-thiol (CID 175679057) is (2S)-2,5-diaminopentane-1-thiol.
What is the SMILES notation for (2S)-2,5-diaminopentane-1-thiol?
The canonical SMILES for (2S)-2,5-diaminopentane-1-thiol is NCCC[C@H](N)CS.
What is the InChIKey of (2S)-2,5-diaminopentane-1-thiol?
The InChIKey is ZKIRSVRGIKLJFI-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H14N2S/c6-3-1-2-5(7)4-8/h5,8H,1-4,6-7H2/t5-/m0/s1.
What are the key properties of (2S)-2,5-diaminopentane-1-thiol?
(2S)-2,5-diaminopentane-1-thiol has a molecular weight of 134.25 g/mol, XLogP of -0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-diaminopentane-1-thiol is sourced from PubChem (CID 175679057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).