1,5-diaminopentane-1-sulfinic acid;hydrochloride

C5H15ClN2O2S — CID 154572911

IUPAC1,5-diaminopentane-1-sulfinic acid;hydrochloride
SMILESCl.NCCCCC(N)S(=O)O
InChIInChI=1S/C5H14N2O2S.ClH/c6-4-2-1-3-5(7)10(8)9;/h5H,1-4,6-7H2,(H,8,9);1H
InChIKeyRHUDWOPFCVPBGX-UHFFFAOYSA-N
MW202.71 g/mol
LogP0.04
Rot. Bonds5

About 1,5-diaminopentane-1-sulfinic acid;hydrochloride

1,5-diaminopentane-1-sulfinic acid;hydrochloride (PubChem CID 154572911) has the molecular formula C5H15ClN2O2S and a molecular weight of 202.71 g/mol. Its IUPAC name is 1,5-diaminopentane-1-sulfinic acid;hydrochloride.

Molecular Properties

Compound Name1,5-diaminopentane-1-sulfinic acid;hydrochloride
PubChem CID154572911
Molecular FormulaC5H15ClN2O2S
Molecular Weight202.71 g/mol
Exact Mass202.05
IUPAC Name1,5-diaminopentane-1-sulfinic acid;hydrochloride
SMILESCl.NCCCCC(N)S(=O)O
InChIInChI=1S/C5H14N2O2S.ClH/c6-4-2-1-3-5(7)10(8)9;/h5H,1-4,6-7H2,(H,8,9);1H
InChIKeyRHUDWOPFCVPBGX-UHFFFAOYSA-N
XLogP0.04
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.71
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(2S)-2,6-bis(15N)(azanyl)hexanoic acid;dihydrochloride
CID 163409206
2-amino-6-(15N)azanylhexanoic acid;dihydrochloride
CID 45157533
2,6-diaminohexanoic acid;zinc;hydrochloride
CID 88512669
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2,6-diaminohexanoic acid;methane;hydrochloride
CID 175503313
pentacosane-1,13,25-triamine
CID 174653759
potassium;(2S)-2,6-diaminohexanoic acid;chloride;hydrochloride
CID 161346238
(3R)-3,7-diaminoheptanoic acid;dihydrochloride
CID 121234002
1,6-diaminohexan-1-ol
CID 57008257
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004

Frequently Asked Questions

What is the IUPAC name of 1,5-diaminopentane-1-sulfinic acid;hydrochloride?
The IUPAC name of 1,5-diaminopentane-1-sulfinic acid;hydrochloride (CID 154572911) is 1,5-diaminopentane-1-sulfinic acid;hydrochloride.
What is the SMILES notation for 1,5-diaminopentane-1-sulfinic acid;hydrochloride?
The canonical SMILES for 1,5-diaminopentane-1-sulfinic acid;hydrochloride is Cl.NCCCCC(N)S(=O)O.
What is the InChIKey of 1,5-diaminopentane-1-sulfinic acid;hydrochloride?
The InChIKey is RHUDWOPFCVPBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O2S.ClH/c6-4-2-1-3-5(7)10(8)9;/h5H,1-4,6-7H2,(H,8,9);1H.
What are the key properties of 1,5-diaminopentane-1-sulfinic acid;hydrochloride?
1,5-diaminopentane-1-sulfinic acid;hydrochloride has a molecular weight of 202.71 g/mol, XLogP of 0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diaminopentane-1-sulfinic acid;hydrochloride is sourced from PubChem (CID 154572911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).