5-[(1R)-1-amino-2-methylpropyl]thiophene-3-carboximidamide

C9H15N3S — CID 163225050

IUPAC5-[(1R)-1-amino-2-methylpropyl]thiophene-3-carboximidamide
SMILES[H]/N=C(\N)c1csc([C@H](N)C(C)C)c1
InChIInChI=1S/C9H15N3S/c1-5(2)8(10)7-3-6(4-13-7)9(11)12/h3-5,8H,10H2,1-2H3,(H3,11,12)/t8-/m1/s1
InChIKeyHIOMUTCDBMIYCH-MRVPVSSYSA-N
MW197.31 g/mol
LogP1.69
Rot. Bonds3

About 5-[(1R)-1-amino-2-methylpropyl]thiophene-3-carboximidamide

5-[(1R)-1-amino-2-methylpropyl]thiophene-3-carboximidamide (PubChem CID 163225050) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 5-[(1R)-1-amino-2-methylpropyl]thiophene-3-carboximidamide.

Molecular Properties

Compound Name5-[(1R)-1-amino-2-methylpropyl]thiophene-3-carboximidamide
PubChem CID163225050
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name5-[(1R)-1-amino-2-methylpropyl]thiophene-3-carboximidamide
SMILES[H]/N=C(\N)c1csc([C@H](N)C(C)C)c1
InChIInChI=1S/C9H15N3S/c1-5(2)8(10)7-3-6(4-13-7)9(11)12/h3-5,8H,10H2,1-2H3,(H3,11,12)/t8-/m1/s1
InChIKeyHIOMUTCDBMIYCH-MRVPVSSYSA-N
XLogP1.69
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

methyl 2-(4-carbamimidoylthiophen-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 163226410
5-(aminomethyl)thiophene-3-carboximidamide;dihydrochloride
CID 22716030
tert-butyl N-[(1R)-1-(4-carbamimidoylthiophen-2-yl)-2-hydroxyethyl]carbamate
CID 163225171
5-(2-aminoethyl)thiophene-3-carboximidamide;hydrochloride
CID 169198244
5-[(1R)-1-aminoethyl]thiophene-3-carboxylic acid
CID 170904569
5-(difluoromethyl)thiophene-3-carboxamide
CID 18938084
6-propan-2-ylnaphthalene-2-carboximidamide
CID 138525860
3-(4,5-dimethylhexan-2-yl)benzenecarboximidamide
CID 142243155
2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]ethanimidamide
CID 149175653
3-chloro-4-(2-methylpropoxymethyl)benzenecarboximidamide
CID 102668091
3-chloro-4-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide
CID 63087256
4-amino-3-[(2-amino-5-carbamimidoylphenyl)disulfanyl]benzenecarboximidamide
CID 102026982

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-amino-2-methylpropyl]thiophene-3-carboximidamide?
The IUPAC name of 5-[(1R)-1-amino-2-methylpropyl]thiophene-3-carboximidamide (CID 163225050) is 5-[(1R)-1-amino-2-methylpropyl]thiophene-3-carboximidamide.
What is the SMILES notation for 5-[(1R)-1-amino-2-methylpropyl]thiophene-3-carboximidamide?
The canonical SMILES for 5-[(1R)-1-amino-2-methylpropyl]thiophene-3-carboximidamide is [H]/N=C(\N)c1csc([C@H](N)C(C)C)c1.
What is the InChIKey of 5-[(1R)-1-amino-2-methylpropyl]thiophene-3-carboximidamide?
The InChIKey is HIOMUTCDBMIYCH-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-5(2)8(10)7-3-6(4-13-7)9(11)12/h3-5,8H,10H2,1-2H3,(H3,11,12)/t8-/m1/s1.
What are the key properties of 5-[(1R)-1-amino-2-methylpropyl]thiophene-3-carboximidamide?
5-[(1R)-1-amino-2-methylpropyl]thiophene-3-carboximidamide has a molecular weight of 197.31 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-amino-2-methylpropyl]thiophene-3-carboximidamide is sourced from PubChem (CID 163225050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).