1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-1-methylguanidine

C10H14ClN3S — CID 62362340

IUPAC1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-1-methylguanidine
SMILESCN(Cc1ccc(Cl)s1)/C(N)=N/C1CC1
InChIInChI=1S/C10H14ClN3S/c1-14(10(12)13-7-2-3-7)6-8-4-5-9(11)15-8/h4-5,7H,2-3,6H2,1H3,(H2,12,13)
InChIKeyITCTZTJSPFOPDE-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.31
Rot. Bonds3

About 1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-1-methylguanidine

1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-1-methylguanidine (PubChem CID 62362340) has the molecular formula C10H14ClN3S and a molecular weight of 243.76 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-1-methylguanidine.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-1-methylguanidine
PubChem CID62362340
Molecular FormulaC10H14ClN3S
Molecular Weight243.76 g/mol
Exact Mass243.06
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-1-methylguanidine
SMILESCN(Cc1ccc(Cl)s1)/C(N)=N/C1CC1
InChIInChI=1S/C10H14ClN3S/c1-14(10(12)13-7-2-3-7)6-8-4-5-9(11)15-8/h4-5,7H,2-3,6H2,1H3,(H2,12,13)
InChIKeyITCTZTJSPFOPDE-UHFFFAOYSA-N
XLogP2.31
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.31
H-Bond Donors ≤ 51
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

3-amino-1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-1-methylguanidine
CID 116513845
cis-(1S,2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentane-1-carboxamide
CID 97033065
N-[(5-chlorothiophen-2-yl)methyl]-N-methylprop-2-ynamide
CID 130639217
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 78973111
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 60937566
3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methylcyclopentane-1,3-diamine
CID 79468727
2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine
CID 62616719
2-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 167865036
2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclohexan-1-amine
CID 61438820
2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentan-1-amine
CID 61438774
N-[(5-chlorothiophen-2-yl)methyl]-4-(cyclopropylcarbamoylamino)-N-methylbenzamide
CID 39932630
N-[(5-chlorothiophen-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide
CID 54869433

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-1-methylguanidine?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-1-methylguanidine (CID 62362340) is 1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-1-methylguanidine.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-1-methylguanidine?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-1-methylguanidine is CN(Cc1ccc(Cl)s1)/C(N)=N/C1CC1.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-1-methylguanidine?
The InChIKey is ITCTZTJSPFOPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3S/c1-14(10(12)13-7-2-3-7)6-8-4-5-9(11)15-8/h4-5,7H,2-3,6H2,1H3,(H2,12,13).
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-1-methylguanidine?
1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-1-methylguanidine has a molecular weight of 243.76 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-1-methylguanidine is sourced from PubChem (CID 62362340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).