2-(3-hydroxypropylsulfanyl)propanimidamide

C6H14N2OS — CID 66115191

IUPAC2-(3-hydroxypropylsulfanyl)propanimidamide
SMILES[H]/N=C(\N)C(C)SCCCO
InChIInChI=1S/C6H14N2OS/c1-5(6(7)8)10-4-2-3-9/h5,9H,2-4H2,1H3,(H3,7,8)
InChIKeyZTXMHFOLLQRQHC-UHFFFAOYSA-N
MW162.26 g/mol
LogP0.43
Rot. Bonds5

About 2-(3-hydroxypropylsulfanyl)propanimidamide

2-(3-hydroxypropylsulfanyl)propanimidamide (PubChem CID 66115191) has the molecular formula C6H14N2OS and a molecular weight of 162.26 g/mol. Its IUPAC name is 2-(3-hydroxypropylsulfanyl)propanimidamide.

Molecular Properties

Compound Name2-(3-hydroxypropylsulfanyl)propanimidamide
PubChem CID66115191
Molecular FormulaC6H14N2OS
Molecular Weight162.26 g/mol
Exact Mass162.08
IUPAC Name2-(3-hydroxypropylsulfanyl)propanimidamide
SMILES[H]/N=C(\N)C(C)SCCCO
InChIInChI=1S/C6H14N2OS/c1-5(6(7)8)10-4-2-3-9/h5,9H,2-4H2,1H3,(H3,7,8)
InChIKeyZTXMHFOLLQRQHC-UHFFFAOYSA-N
XLogP0.43
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(disulfanyl)propanimidamide
CID 175395946
2-(3-hydroxypropylsulfanyl)propanehydrazide
CID 66128764
(1-amino-1-iminopropan-2-yl) carbamimidothioate;dihydrochloride
CID 131862948
N,N-diethyl-2-(3-hydroxypropylsulfanyl)propanamide
CID 66128071
4-butan-2-ylsulfanylbutanimidamide
CID 43188607
2-methylpropanimidamide;hydrochloride
CID 2782053
5-(3-hydroxypropylsulfanyl)pentanimidamide
CID 66113429
6-hydroxyhexyl carbamimidothioate
CID 15370310
3-(1-methoxypropan-2-ylsulfanyl)propan-1-ol
CID 66129136
(2R)-2-hydroxypropanimidamide;hydrochloride
CID 42614222
methyl 3-(3-hydroxypropylsulfanyl)-2-methylbutanoate
CID 79392442
2-(2-methylbutylsulfanyl)butanimidamide
CID 107750310

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropylsulfanyl)propanimidamide?
The IUPAC name of 2-(3-hydroxypropylsulfanyl)propanimidamide (CID 66115191) is 2-(3-hydroxypropylsulfanyl)propanimidamide.
What is the SMILES notation for 2-(3-hydroxypropylsulfanyl)propanimidamide?
The canonical SMILES for 2-(3-hydroxypropylsulfanyl)propanimidamide is [H]/N=C(\N)C(C)SCCCO.
What is the InChIKey of 2-(3-hydroxypropylsulfanyl)propanimidamide?
The InChIKey is ZTXMHFOLLQRQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2OS/c1-5(6(7)8)10-4-2-3-9/h5,9H,2-4H2,1H3,(H3,7,8).
What are the key properties of 2-(3-hydroxypropylsulfanyl)propanimidamide?
2-(3-hydroxypropylsulfanyl)propanimidamide has a molecular weight of 162.26 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropylsulfanyl)propanimidamide is sourced from PubChem (CID 66115191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).