N-(3-amino-3-sulfanylidenepropyl)-3-bromo-N-cyclopropylthiophene-2-carboxamide

C11H13BrN2OS2 — CID 55240299

IUPACN-(3-amino-3-sulfanylidenepropyl)-3-bromo-N-cyclopropylthiophene-2-carboxamide
SMILESNC(=S)CCN(C(=O)c1sccc1Br)C1CC1
InChIInChI=1S/C11H13BrN2OS2/c12-8-4-6-17-10(8)11(15)14(7-1-2-7)5-3-9(13)16/h4,6-7H,1-3,5H2,(H2,13,16)
InChIKeySRYFDIQZBJAAOB-UHFFFAOYSA-N
MW333.28 g/mol
LogP2.79
Rot. Bonds5

About N-(3-amino-3-sulfanylidenepropyl)-3-bromo-N-cyclopropylthiophene-2-carboxamide

N-(3-amino-3-sulfanylidenepropyl)-3-bromo-N-cyclopropylthiophene-2-carboxamide (PubChem CID 55240299) has the molecular formula C11H13BrN2OS2 and a molecular weight of 333.28 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-3-bromo-N-cyclopropylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-3-bromo-N-cyclopropylthiophene-2-carboxamide
PubChem CID55240299
Molecular FormulaC11H13BrN2OS2
Molecular Weight333.28 g/mol
Exact Mass331.97
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-3-bromo-N-cyclopropylthiophene-2-carboxamide
SMILESNC(=S)CCN(C(=O)c1sccc1Br)C1CC1
InChIInChI=1S/C11H13BrN2OS2/c12-8-4-6-17-10(8)11(15)14(7-1-2-7)5-3-9(13)16/h4,6-7H,1-3,5H2,(H2,13,16)
InChIKeySRYFDIQZBJAAOB-UHFFFAOYSA-N
XLogP2.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.28
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-cyclopentylthiophene-2-carboxamide
CID 1245660
N-(2-acetamidoethyl)-3-bromothiophene-2-carboxamide
CID 47038926
1-[4-(3-Bromothiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 47219251
3-Bromo-N-(2-(cyclopropanecarboxamido)ethyl)thiophene-2-carboxamide
CID 47220351
5-bromo-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 1247469
4-bromo-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 1245463
4-bromo-N-(prop-2-en-1-yl)thiophene-2-carboxamide
CID 2225431
4,5-Dibromo-N-isopropylthiophene-2-carboxamide
CID 7534835
3-bromo-N,N-diethylthiophene-2-carboxamide
CID 54461600
4-bromo-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 17218082
1-(3-Bromothiophene-2-carbonyl)piperidine-3-carboxamide
CID 45826326
2-[4-(3-Bromothiophene-2-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 48172184

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-3-bromo-N-cyclopropylthiophene-2-carboxamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-3-bromo-N-cyclopropylthiophene-2-carboxamide (CID 55240299) is N-(3-amino-3-sulfanylidenepropyl)-3-bromo-N-cyclopropylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-3-bromo-N-cyclopropylthiophene-2-carboxamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-3-bromo-N-cyclopropylthiophene-2-carboxamide is NC(=S)CCN(C(=O)c1sccc1Br)C1CC1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-3-bromo-N-cyclopropylthiophene-2-carboxamide?
The InChIKey is SRYFDIQZBJAAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2OS2/c12-8-4-6-17-10(8)11(15)14(7-1-2-7)5-3-9(13)16/h4,6-7H,1-3,5H2,(H2,13,16).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-3-bromo-N-cyclopropylthiophene-2-carboxamide?
N-(3-amino-3-sulfanylidenepropyl)-3-bromo-N-cyclopropylthiophene-2-carboxamide has a molecular weight of 333.28 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-3-bromo-N-cyclopropylthiophene-2-carboxamide is sourced from PubChem (CID 55240299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).