5-(thiophen-2-ylmethylamino)pentylcarbamic acid

C11H18N2O2S — CID 118113360

IUPAC5-(thiophen-2-ylmethylamino)pentylcarbamic acid
SMILESO=C(O)NCCCCCNCc1cccs1
InChIInChI=1S/C11H18N2O2S/c14-11(15)13-7-3-1-2-6-12-9-10-5-4-8-16-10/h4-5,8,12-13H,1-3,6-7,9H2,(H,14,15)
InChIKeyXURFXROYTWOZEI-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.28
Rot. Bonds8

About 5-(thiophen-2-ylmethylamino)pentylcarbamic acid

5-(thiophen-2-ylmethylamino)pentylcarbamic acid (PubChem CID 118113360) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 5-(thiophen-2-ylmethylamino)pentylcarbamic acid.

Molecular Properties

Compound Name5-(thiophen-2-ylmethylamino)pentylcarbamic acid
PubChem CID118113360
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name5-(thiophen-2-ylmethylamino)pentylcarbamic acid
SMILESO=C(O)NCCCCCNCc1cccs1
InChIInChI=1S/C11H18N2O2S/c14-11(15)13-7-3-1-2-6-12-9-10-5-4-8-16-10/h4-5,8,12-13H,1-3,6-7,9H2,(H,14,15)
InChIKeyXURFXROYTWOZEI-UHFFFAOYSA-N
XLogP2.28
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(thiophen-2-yl)methyl]acetamide
CID 30617
((Thiophen-2-yl)methyl)urea
CID 2799110
Thiophen-2-ylmethyl-carbamic acid tert-butyl ester
CID 4935536
(Prop-2-en-1-yl)(thiophen-2-ylmethyl)amine
CID 2560646
N-(2-thienylmethyl)-3-{2-[N-(2-thienylmethyl)carbamoyl]ethylthio}propanamide
CID 2169342
2-Cyano-N-(2-thienylmethyl)acetamide
CID 601924
Carbamic acid, 2-thenyl-, 2-hydroxyethyl ester
CID 57422
N-[(thiophen-2-yl)methyl]butanamide
CID 4117885
N-(3-aminopropyl)-N'-[3-(thiophen-2-ylmethylamino)propyl]butane-1,4-diamine
CID 76324406
3-(Thiophen-2-ylmethylamino)propanoic acid
CID 3308288
(2Z)-4-oxo-4-[(thiophen-2-ylmethyl)amino]but-2-enoic acid
CID 5702373
1,3-Dimethyl-1-[(thiophen-2-YL)methyl]urea
CID 53016462

Frequently Asked Questions

What is the IUPAC name of 5-(thiophen-2-ylmethylamino)pentylcarbamic acid?
The IUPAC name of 5-(thiophen-2-ylmethylamino)pentylcarbamic acid (CID 118113360) is 5-(thiophen-2-ylmethylamino)pentylcarbamic acid.
What is the SMILES notation for 5-(thiophen-2-ylmethylamino)pentylcarbamic acid?
The canonical SMILES for 5-(thiophen-2-ylmethylamino)pentylcarbamic acid is O=C(O)NCCCCCNCc1cccs1.
What is the InChIKey of 5-(thiophen-2-ylmethylamino)pentylcarbamic acid?
The InChIKey is XURFXROYTWOZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c14-11(15)13-7-3-1-2-6-12-9-10-5-4-8-16-10/h4-5,8,12-13H,1-3,6-7,9H2,(H,14,15).
What are the key properties of 5-(thiophen-2-ylmethylamino)pentylcarbamic acid?
5-(thiophen-2-ylmethylamino)pentylcarbamic acid has a molecular weight of 242.34 g/mol, XLogP of 2.28, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiophen-2-ylmethylamino)pentylcarbamic acid is sourced from PubChem (CID 118113360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).