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

C10H15ClN4S — CID 116513845

IUPAC3-amino-1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-1-methylguanidine
SMILESCN(Cc1ccc(Cl)s1)/C(=N/C1CC1)NN
InChIInChI=1S/C10H15ClN4S/c1-15(6-8-4-5-9(11)16-8)10(14-12)13-7-2-3-7/h4-5,7H,2-3,6,12H2,1H3,(H,13,14)
InChIKeyYCSQTHRPXDQWMH-UHFFFAOYSA-N
MW258.78 g/mol
LogP1.82
Rot. Bonds3

About 3-amino-1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-1-methylguanidine

3-amino-1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-1-methylguanidine (PubChem CID 116513845) has the molecular formula C10H15ClN4S and a molecular weight of 258.78 g/mol. Its IUPAC name is 3-amino-1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-1-methylguanidine.

Molecular Properties

Compound Name3-amino-1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-1-methylguanidine
PubChem CID116513845
Molecular FormulaC10H15ClN4S
Molecular Weight258.78 g/mol
Exact Mass258.07
IUPAC Name3-amino-1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-1-methylguanidine
SMILESCN(Cc1ccc(Cl)s1)/C(=N/C1CC1)NN
InChIInChI=1S/C10H15ClN4S/c1-15(6-8-4-5-9(11)16-8)10(14-12)13-7-2-3-7/h4-5,7H,2-3,6,12H2,1H3,(H,13,14)
InChIKeyYCSQTHRPXDQWMH-UHFFFAOYSA-N
XLogP1.82
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.78
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-1-methylguanidine
CID 62362340
3-amino-1-[(5-chlorothiophen-2-yl)methyl]-1-methyl-2-phenylguanidine
CID 116513843
3-amino-2-cyclohexyl-1-methyl-1-(thiophen-3-ylmethyl)guanidine
CID 116513310
1-(5-chlorothiophen-2-yl)-N-(hydrazinylmethyl)-N-methylmethanamine
CID 115260926
N-[(5-chlorothiophen-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide
CID 54869433
cis-(1S,2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentane-1-carboxamide
CID 97033065
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-oxobutanamide
CID 60951660
1-[(5-chlorothiophen-2-yl)methyl]-1,2-dimethyl-3-(3,3,3-trifluoropropyl)guanidine
CID 111984695
1-[(5-chlorothiophen-2-yl)methyl]-2-[(1,1-dioxothiolan-3-yl)methyl]-3-ethyl-1-methylguanidine;hydroiodide
CID 119132909
(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

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-1-methylguanidine?
The IUPAC name of 3-amino-1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-1-methylguanidine (CID 116513845) is 3-amino-1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-1-methylguanidine.
What is the SMILES notation for 3-amino-1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-1-methylguanidine?
The canonical SMILES for 3-amino-1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-1-methylguanidine is CN(Cc1ccc(Cl)s1)/C(=N/C1CC1)NN.
What is the InChIKey of 3-amino-1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-1-methylguanidine?
The InChIKey is YCSQTHRPXDQWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4S/c1-15(6-8-4-5-9(11)16-8)10(14-12)13-7-2-3-7/h4-5,7H,2-3,6,12H2,1H3,(H,13,14).
What are the key properties of 3-amino-1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-1-methylguanidine?
3-amino-1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-1-methylguanidine has a molecular weight of 258.78 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-1-methylguanidine is sourced from PubChem (CID 116513845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).