5-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxypentanimidamide

C13H21N3OS — CID 54965704

IUPAC5-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxypentanimidamide
SMILESNC(CCCCN(Cc1ccsc1)C1CC1)=NO
InChIInChI=1S/C13H21N3OS/c14-13(15-17)3-1-2-7-16(12-4-5-12)9-11-6-8-18-10-11/h6,8,10,12,17H,1-5,7,9H2,(H2,14,15)
InChIKeyPJSDBDPYPOZXNP-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.63
Rot. Bonds8

About 5-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxypentanimidamide

5-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxypentanimidamide (PubChem CID 54965704) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 5-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxypentanimidamide
PubChem CID54965704
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name5-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxypentanimidamide
SMILESNC(CCCCN(Cc1ccsc1)C1CC1)=NO
InChIInChI=1S/C13H21N3OS/c14-13(15-17)3-1-2-7-16(12-4-5-12)9-11-6-8-18-10-11/h6,8,10,12,17H,1-5,7,9H2,(H2,14,15)
InChIKeyPJSDBDPYPOZXNP-UHFFFAOYSA-N
XLogP2.63
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol
CID 61435347
6-[cyclopropyl(thiophen-3-ylmethyl)amino]hexan-1-ol
CID 103737857
3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid
CID 60838165
N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61435255
N'-cyclopropyl-N-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 61435554
2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetamide
CID 47288219
N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine
CID 65253760
5-[cyclopropyl(ethyl)amino]-N'-hydroxypentanimidamide
CID 109374552
N'-cyclopropyl-N-propan-2-yl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine
CID 62435574
4-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-thiophen-2-ylbutan-1-one
CID 62035879
5-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpentanoic acid
CID 65255298
N-[2-(2-aminoethoxy)ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 79479893

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxypentanimidamide?
The IUPAC name of 5-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxypentanimidamide (CID 54965704) is 5-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxypentanimidamide?
The canonical SMILES for 5-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxypentanimidamide is NC(CCCCN(Cc1ccsc1)C1CC1)=NO.
What is the InChIKey of 5-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxypentanimidamide?
The InChIKey is PJSDBDPYPOZXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c14-13(15-17)3-1-2-7-16(12-4-5-12)9-11-6-8-18-10-11/h6,8,10,12,17H,1-5,7,9H2,(H2,14,15).
What are the key properties of 5-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxypentanimidamide?
5-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxypentanimidamide has a molecular weight of 267.40 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 54965704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).