3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxypentanimidamide

C11H18ClN3OS — CID 61442424

IUPAC3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C11H18ClN3OS/c1-3-8(6-11(13)14-16)15(2)7-9-4-5-10(12)17-9/h4-5,8,16H,3,6-7H2,1-2H3,(H2,13,14)
InChIKeyDOLDVBRHRDZVHD-UHFFFAOYSA-N
MW275.81 g/mol
LogP2.75
Rot. Bonds6

About 3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxypentanimidamide

3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxypentanimidamide (PubChem CID 61442424) has the molecular formula C11H18ClN3OS and a molecular weight of 275.81 g/mol. Its IUPAC name is 3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxypentanimidamide
PubChem CID61442424
Molecular FormulaC11H18ClN3OS
Molecular Weight275.81 g/mol
Exact Mass275.09
IUPAC Name3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C11H18ClN3OS/c1-3-8(6-11(13)14-16)15(2)7-9-4-5-10(12)17-9/h4-5,8,16H,3,6-7H2,1-2H3,(H2,13,14)
InChIKeyDOLDVBRHRDZVHD-UHFFFAOYSA-N
XLogP2.75
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.81
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-cyclopropyl-2-N-methylbutane-1,2-diamine
CID 62430146
2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,3-dimethylpentane-1,2-diamine
CID 61438257
2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,4-dimethylpentane-1,2-diamine
CID 61438169
4-amino-3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-methylbutanamide
CID 66427355
N-[(5-chlorothiophen-2-yl)methyl]-2-(N'-hydroxycarbamimidoyl)-N-methylpentanamide
CID 76926115
N-[(5-chlorothiophen-2-yl)methyl]-1-(2,6-difluorophenyl)-N-methylethane-1,2-diamine
CID 61438787
N'-hydroxy-3-[methyl(2-methylbutyl)amino]pentanimidamide
CID 43295869
2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-ethyl-2-N-methylpropane-1,2-diamine
CID 62429792
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 61442073
2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 76904227
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpentanamide
CID 54869576
4-[(5-chlorothiophen-2-yl)methyl-methylamino]-3,5-difluoro-N'-hydroxybenzenecarboximidamide
CID 81286314

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxypentanimidamide?
The IUPAC name of 3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxypentanimidamide (CID 61442424) is 3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxypentanimidamide?
The canonical SMILES for 3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxypentanimidamide is CCC(CC(N)=NO)N(C)Cc1ccc(Cl)s1.
What is the InChIKey of 3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxypentanimidamide?
The InChIKey is DOLDVBRHRDZVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3OS/c1-3-8(6-11(13)14-16)15(2)7-9-4-5-10(12)17-9/h4-5,8,16H,3,6-7H2,1-2H3,(H2,13,14).
What are the key properties of 3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxypentanimidamide?
3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxypentanimidamide has a molecular weight of 275.81 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 61442424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).