3-[5-[(propylsulfamoylamino)methyl]thiophen-2-yl]prop-2-yn-1-amine

C11H17N3O2S2 — CID 114812190

IUPAC3-[5-[(propylsulfamoylamino)methyl]thiophen-2-yl]prop-2-yn-1-amine
SMILESCCCNS(=O)(=O)NCc1ccc(C#CCN)s1
InChIInChI=1S/C11H17N3O2S2/c1-2-8-13-18(15,16)14-9-11-6-5-10(17-11)4-3-7-12/h5-6,13-14H,2,7-9,12H2,1H3
InChIKeyOJRJUAFKRADCBS-UHFFFAOYSA-N
MW287.41 g/mol
LogP0.39
Rot. Bonds6

About 3-[5-[(propylsulfamoylamino)methyl]thiophen-2-yl]prop-2-yn-1-amine

3-[5-[(propylsulfamoylamino)methyl]thiophen-2-yl]prop-2-yn-1-amine (PubChem CID 114812190) has the molecular formula C11H17N3O2S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-[5-[(propylsulfamoylamino)methyl]thiophen-2-yl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[5-[(propylsulfamoylamino)methyl]thiophen-2-yl]prop-2-yn-1-amine
PubChem CID114812190
Molecular FormulaC11H17N3O2S2
Molecular Weight287.41 g/mol
Exact Mass287.08
IUPAC Name3-[5-[(propylsulfamoylamino)methyl]thiophen-2-yl]prop-2-yn-1-amine
SMILESCCCNS(=O)(=O)NCc1ccc(C#CCN)s1
InChIInChI=1S/C11H17N3O2S2/c1-2-8-13-18(15,16)14-9-11-6-5-10(17-11)4-3-7-12/h5-6,13-14H,2,7-9,12H2,1H3
InChIKeyOJRJUAFKRADCBS-UHFFFAOYSA-N
XLogP0.39
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(Aminomethyl)thiophene-2-sulfonamide
CID 4961814
(5-Methylthiophen-2-yl)methanamine
CID 4313442
US10807974, Example 8
CID 130345054
5-(2-aminoethyl)-N,N-diethylthiophene-2-sulfonamide
CID 43420051
5-(aminomethyl)-N,N-dimethylthiophene-2-sulfonamide
CID 16227241
5-(aminomethyl)-N-ethylthiophene-2-sulfonamide
CID 43155678
N-(thiophen-2-ylmethyl)methanesulfonamide
CID 2820602
5-(aminomethyl)-N-methylthiophene-2-sulfonamide hydrochloride
CID 16340559
Thiophene-2,5-diyldimethanamine
CID 12979461
2-methyl-N-(1-thiophen-2-ylethyl)piperidine-1-sulfonamide
CID 42893989
2-[2-[[Methyl(propan-2-yl)sulfamoyl]amino]ethyl]thiophene
CID 45897898
3-Ethyl-2-[(sulfamoylamino)methyl]thiophene
CID 71971901

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(propylsulfamoylamino)methyl]thiophen-2-yl]prop-2-yn-1-amine?
The IUPAC name of 3-[5-[(propylsulfamoylamino)methyl]thiophen-2-yl]prop-2-yn-1-amine (CID 114812190) is 3-[5-[(propylsulfamoylamino)methyl]thiophen-2-yl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[5-[(propylsulfamoylamino)methyl]thiophen-2-yl]prop-2-yn-1-amine?
The canonical SMILES for 3-[5-[(propylsulfamoylamino)methyl]thiophen-2-yl]prop-2-yn-1-amine is CCCNS(=O)(=O)NCc1ccc(C#CCN)s1.
What is the InChIKey of 3-[5-[(propylsulfamoylamino)methyl]thiophen-2-yl]prop-2-yn-1-amine?
The InChIKey is OJRJUAFKRADCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S2/c1-2-8-13-18(15,16)14-9-11-6-5-10(17-11)4-3-7-12/h5-6,13-14H,2,7-9,12H2,1H3.
What are the key properties of 3-[5-[(propylsulfamoylamino)methyl]thiophen-2-yl]prop-2-yn-1-amine?
3-[5-[(propylsulfamoylamino)methyl]thiophen-2-yl]prop-2-yn-1-amine has a molecular weight of 287.41 g/mol, XLogP of 0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(propylsulfamoylamino)methyl]thiophen-2-yl]prop-2-yn-1-amine is sourced from PubChem (CID 114812190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).