1-(diaminomethylidene)-2-(thian-3-ylmethyl)guanidine

C8H17N5S — CID 130816153

IUPAC1-(diaminomethylidene)-2-(thian-3-ylmethyl)guanidine
SMILESNC(N)=N/C(N)=N/CC1CCCSC1
InChIInChI=1S/C8H17N5S/c9-7(10)13-8(11)12-4-6-2-1-3-14-5-6/h6H,1-5H2,(H6,9,10,11,12,13)
InChIKeyLJQLROPHPCQHCH-UHFFFAOYSA-N
MW215.33 g/mol
LogP-0.28
Rot. Bonds2

About 1-(diaminomethylidene)-2-(thian-3-ylmethyl)guanidine

1-(diaminomethylidene)-2-(thian-3-ylmethyl)guanidine (PubChem CID 130816153) has the molecular formula C8H17N5S and a molecular weight of 215.33 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(thian-3-ylmethyl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(thian-3-ylmethyl)guanidine
PubChem CID130816153
Molecular FormulaC8H17N5S
Molecular Weight215.33 g/mol
Exact Mass215.12
IUPAC Name1-(diaminomethylidene)-2-(thian-3-ylmethyl)guanidine
SMILESNC(N)=N/C(N)=N/CC1CCCSC1
InChIInChI=1S/C8H17N5S/c9-7(10)13-8(11)12-4-6-2-1-3-14-5-6/h6H,1-5H2,(H6,9,10,11,12,13)
InChIKeyLJQLROPHPCQHCH-UHFFFAOYSA-N
XLogP-0.28
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.33
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
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

1-(diaminomethylidene)-2-[(4-ethylcyclohexyl)methyl]guanidine
CID 83032402
N'-(thiolan-3-ylmethyl)cyclopropanecarboximidamide
CID 107298354
1-(diaminomethylidene)-2-[(2-methylcyclopentyl)methyl]guanidine
CID 107419018
thian-3-ylmethanethiol
CID 83678909
1-amino-3-cyclohexyl-2-(thiolan-3-ylmethyl)guanidine
CID 107299078
(2S)-1-(thian-3-yl)propan-2-amine
CID 157129438
thian-3-ylmethanesulfonamide
CID 115020407
1-(thian-3-ylmethyl)cyclobutan-1-ol
CID 115073620
2-[N'-(cyclopropylmethyl)carbamimidoyl]-1,1-dimethylguanidine
CID 140599397
N'-(cyclopentylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 119118574
1-[2-(thian-3-yl)ethyl]cyclopentan-1-amine
CID 115074209
3-ethylthiepane
CID 58143173

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-(thian-3-ylmethyl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(thian-3-ylmethyl)guanidine (CID 130816153) is 1-(diaminomethylidene)-2-(thian-3-ylmethyl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(thian-3-ylmethyl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(thian-3-ylmethyl)guanidine is NC(N)=N/C(N)=N/CC1CCCSC1.
What is the InChIKey of 1-(diaminomethylidene)-2-(thian-3-ylmethyl)guanidine?
The InChIKey is LJQLROPHPCQHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5S/c9-7(10)13-8(11)12-4-6-2-1-3-14-5-6/h6H,1-5H2,(H6,9,10,11,12,13).
What are the key properties of 1-(diaminomethylidene)-2-(thian-3-ylmethyl)guanidine?
1-(diaminomethylidene)-2-(thian-3-ylmethyl)guanidine has a molecular weight of 215.33 g/mol, XLogP of -0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(thian-3-ylmethyl)guanidine is sourced from PubChem (CID 130816153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).