1-[3-(dimethylamino)propyl]-3-thiophen-2-ylurea

C10H17N3OS — CID 110706816

IUPAC1-[3-(dimethylamino)propyl]-3-thiophen-2-ylurea
SMILESCN(C)CCCNC(=O)Nc1cccs1
InChIInChI=1S/C10H17N3OS/c1-13(2)7-4-6-11-10(14)12-9-5-3-8-15-9/h3,5,8H,4,6-7H2,1-2H3,(H2,11,12,14)
InChIKeyXEDRZWRFCOPPBN-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.82
Rot. Bonds5

About 1-[3-(dimethylamino)propyl]-3-thiophen-2-ylurea

1-[3-(dimethylamino)propyl]-3-thiophen-2-ylurea (PubChem CID 110706816) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-3-thiophen-2-ylurea
PubChem CID110706816
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name1-[3-(dimethylamino)propyl]-3-thiophen-2-ylurea
SMILESCN(C)CCCNC(=O)Nc1cccs1
InChIInChI=1S/C10H17N3OS/c1-13(2)7-4-6-11-10(14)12-9-5-3-8-15-9/h3,5,8H,4,6-7H2,1-2H3,(H2,11,12,14)
InChIKeyXEDRZWRFCOPPBN-UHFFFAOYSA-N
XLogP1.82
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(diethylamino)propyl]-3-thiophen-2-ylurea
CID 108889188
1-(2-hydroxypropyl)-3-thiophen-2-ylurea
CID 117235204
2-[3-(dimethylamino)propylcarbamoylamino]thiophene-3-carboxylic acid
CID 15829702
1-[3-(dimethylamino)propyl]-3-(4-methylphenyl)urea
CID 47103513
1-[3-(dimethylamino)propyl]-3-pyridin-2-ylurea
CID 47237954
N-[3-[3-(dimethylamino)propylcarbamoylamino]phenyl]acetamide
CID 108884144
1-(3-morpholin-4-ylpropyl)-3-thiophen-2-ylurea
CID 108889167
1-[3-(dimethylamino)propyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 108896244
1-(2-chloro-6-methylphenyl)-3-[3-(dimethylamino)propyl]urea;hydrochloride
CID 3060919
3-[3-(dimethylamino)propylcarbamoylamino]-2-methylbenzoic acid
CID 62948260
N-[3-(dimethylamino)propyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 110698443
1-[3-(dimethylamino)propyl]-3-naphthalen-1-ylurea;hydrochloride
CID 134126097

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-3-thiophen-2-ylurea?
The IUPAC name of 1-[3-(dimethylamino)propyl]-3-thiophen-2-ylurea (CID 110706816) is 1-[3-(dimethylamino)propyl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-3-thiophen-2-ylurea is CN(C)CCCNC(=O)Nc1cccs1.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-3-thiophen-2-ylurea?
The InChIKey is XEDRZWRFCOPPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-13(2)7-4-6-11-10(14)12-9-5-3-8-15-9/h3,5,8H,4,6-7H2,1-2H3,(H2,11,12,14).
What are the key properties of 1-[3-(dimethylamino)propyl]-3-thiophen-2-ylurea?
1-[3-(dimethylamino)propyl]-3-thiophen-2-ylurea has a molecular weight of 227.33 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-3-thiophen-2-ylurea is sourced from PubChem (CID 110706816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).