2-(2-propan-2-ylsulfanylpropyl)guanidine

C7H17N3S — CID 144608807

IUPAC2-(2-propan-2-ylsulfanylpropyl)guanidine
SMILESCC(C)SC(C)CN=C(N)N
InChIInChI=1S/C7H17N3S/c1-5(2)11-6(3)4-10-7(8)9/h5-6H,4H2,1-3H3,(H4,8,9,10)
InChIKeyCCGCQNLDXXIQGF-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.79
Rot. Bonds4

About 2-(2-propan-2-ylsulfanylpropyl)guanidine

2-(2-propan-2-ylsulfanylpropyl)guanidine (PubChem CID 144608807) has the molecular formula C7H17N3S and a molecular weight of 175.30 g/mol. Its IUPAC name is 2-(2-propan-2-ylsulfanylpropyl)guanidine.

Molecular Properties

Compound Name2-(2-propan-2-ylsulfanylpropyl)guanidine
PubChem CID144608807
Molecular FormulaC7H17N3S
Molecular Weight175.30 g/mol
Exact Mass175.11
IUPAC Name2-(2-propan-2-ylsulfanylpropyl)guanidine
SMILESCC(C)SC(C)CN=C(N)N
InChIInChI=1S/C7H17N3S/c1-5(2)11-6(3)4-10-7(8)9/h5-6H,4H2,1-3H3,(H4,8,9,10)
InChIKeyCCGCQNLDXXIQGF-UHFFFAOYSA-N
XLogP0.79
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S)-2,4-dimethyl-3-oxopentyl]guanidine;2-[(2R)-2,4-dimethyl-3-oxopentyl]guanidine;2-(2,4-dimethyl-3-oxopentyl)guanidine;methane
CID 158049134
2-(2-propylpentyl)guanidine
CID 174332322
(2S)-2-propan-2-ylsulfanylbutane
CID 92859736
2-(1-aminoethyl)guanidine;hydrochloride
CID 55285511
2-(2-methylpropylsulfanylmethyl)guanidine
CID 21026485
2-(2-piperidin-1-ylpropyl)guanidine
CID 62358451
2-[(2S)-2-(4-methyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)propyl]guanidine
CID 54060298
3-(diaminomethylideneamino)-2-methylpropanoic acid;ethane;methane;N-methylmethanamine
CID 160941583
3-[1-(diaminomethylideneamino)ethylsulfanyl]butanoic acid
CID 118327767
2-[(2S)-2-amino-4-methyl-3-oxopentyl]guanidine;2-[(2R)-2-amino-4-methyl-3-oxopentyl]guanidine;2-(2-amino-4-methyl-3-oxopentyl)guanidine;1,2-diamino-4-methylpentan-3-one;(2R)-1,2-diamino-4-methylpentan-3-one;(2S)-1,2-diamino-4-methylpentan-3-one
CID 161412599
4-propan-2-ylsulfanylpentan-2-one
CID 64726666
(2S)-2-amino-3-(diaminomethylideneamino)propanamide
CID 149104160

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylsulfanylpropyl)guanidine?
The IUPAC name of 2-(2-propan-2-ylsulfanylpropyl)guanidine (CID 144608807) is 2-(2-propan-2-ylsulfanylpropyl)guanidine.
What is the SMILES notation for 2-(2-propan-2-ylsulfanylpropyl)guanidine?
The canonical SMILES for 2-(2-propan-2-ylsulfanylpropyl)guanidine is CC(C)SC(C)CN=C(N)N.
What is the InChIKey of 2-(2-propan-2-ylsulfanylpropyl)guanidine?
The InChIKey is CCGCQNLDXXIQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3S/c1-5(2)11-6(3)4-10-7(8)9/h5-6H,4H2,1-3H3,(H4,8,9,10).
What are the key properties of 2-(2-propan-2-ylsulfanylpropyl)guanidine?
2-(2-propan-2-ylsulfanylpropyl)guanidine has a molecular weight of 175.30 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylsulfanylpropyl)guanidine is sourced from PubChem (CID 144608807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).