[(1S)-2-(cyclohexylcarbamothioylamino)-1-thiophen-2-ylethyl]-dimethylazanium

C15H26N3S2+ — CID 7945287

IUPAC[(1S)-2-(cyclohexylcarbamothioylamino)-1-thiophen-2-ylethyl]-dimethylazanium
SMILESC[NH+](C)[C@@H](CNC(=S)NC1CCCCC1)c1cccs1
InChIInChI=1S/C15H25N3S2/c1-18(2)13(14-9-6-10-20-14)11-16-15(19)17-12-7-4-3-5-8-12/h6,9-10,12-13H,3-5,7-8,11H2,1-2H3,(H2,16,17,19)/p+1/t13-/m0/s1
InChIKeyRKBKDKXHNPSQTN-ZDUSSCGKSA-O
MW312.53 g/mol
LogP1.73
Rot. Bonds5

About [(1S)-2-(cyclohexylcarbamothioylamino)-1-thiophen-2-ylethyl]-dimethylazanium

[(1S)-2-(cyclohexylcarbamothioylamino)-1-thiophen-2-ylethyl]-dimethylazanium (PubChem CID 7945287) has the molecular formula C15H26N3S2+ and a molecular weight of 312.53 g/mol. Its IUPAC name is [(1S)-2-(cyclohexylcarbamothioylamino)-1-thiophen-2-ylethyl]-dimethylazanium.

Molecular Properties

Compound Name[(1S)-2-(cyclohexylcarbamothioylamino)-1-thiophen-2-ylethyl]-dimethylazanium
PubChem CID7945287
Molecular FormulaC15H26N3S2+
Molecular Weight312.53 g/mol
Exact Mass312.16
IUPAC Name[(1S)-2-(cyclohexylcarbamothioylamino)-1-thiophen-2-ylethyl]-dimethylazanium
SMILESC[NH+](C)[C@@H](CNC(=S)NC1CCCCC1)c1cccs1
InChIInChI=1S/C15H25N3S2/c1-18(2)13(14-9-6-10-20-14)11-16-15(19)17-12-7-4-3-5-8-12/h6,9-10,12-13H,3-5,7-8,11H2,1-2H3,(H2,16,17,19)/p+1/t13-/m0/s1
InChIKeyRKBKDKXHNPSQTN-ZDUSSCGKSA-O
XLogP1.73
TPSA28.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-2-[(2,6-dimethylphenyl)carbamothioylamino]-1-thiophen-2-ylethyl]-dimethylazanium
CID 8684306
[(1S)-2-[3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoylamino]-1-thiophen-2-ylethyl]-dimethylazanium
CID 11928742
dimethyl-[(1S)-2-[(4-nitrophenyl)carbamothioylamino]-1-thiophen-2-ylethyl]azanium
CID 8684336
1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 30834300
N-(1-thiophen-2-ylethyl)cyclohexanamine
CID 25219735
N-cyclohexyl-2-(1-thiophen-2-ylethylamino)acetamide
CID 43398121
N'-cyclohexyl-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide
CID 30834974
1-cyclopropyl-3-(thiophen-2-ylmethyl)thiourea
CID 2730103
[(1S)-2-[(2-chloro-5-nitrophenyl)carbamothioylamino]-1-thiophen-2-ylethyl]-dimethylazanium
CID 7945311
1-cyclohexyl-3-(1-phenylpropyl)thiourea
CID 17281987
1-cyclohexyl-3-(2,2-dicyclopropylethyl)thiourea
CID 115662423
[(1S)-2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium
CID 8504371

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(cyclohexylcarbamothioylamino)-1-thiophen-2-ylethyl]-dimethylazanium?
The IUPAC name of [(1S)-2-(cyclohexylcarbamothioylamino)-1-thiophen-2-ylethyl]-dimethylazanium (CID 7945287) is [(1S)-2-(cyclohexylcarbamothioylamino)-1-thiophen-2-ylethyl]-dimethylazanium.
What is the SMILES notation for [(1S)-2-(cyclohexylcarbamothioylamino)-1-thiophen-2-ylethyl]-dimethylazanium?
The canonical SMILES for [(1S)-2-(cyclohexylcarbamothioylamino)-1-thiophen-2-ylethyl]-dimethylazanium is C[NH+](C)[C@@H](CNC(=S)NC1CCCCC1)c1cccs1.
What is the InChIKey of [(1S)-2-(cyclohexylcarbamothioylamino)-1-thiophen-2-ylethyl]-dimethylazanium?
The InChIKey is RKBKDKXHNPSQTN-ZDUSSCGKSA-O. The full InChI is InChI=1S/C15H25N3S2/c1-18(2)13(14-9-6-10-20-14)11-16-15(19)17-12-7-4-3-5-8-12/h6,9-10,12-13H,3-5,7-8,11H2,1-2H3,(H2,16,17,19)/p+1/t13-/m0/s1.
What are the key properties of [(1S)-2-(cyclohexylcarbamothioylamino)-1-thiophen-2-ylethyl]-dimethylazanium?
[(1S)-2-(cyclohexylcarbamothioylamino)-1-thiophen-2-ylethyl]-dimethylazanium has a molecular weight of 312.53 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(cyclohexylcarbamothioylamino)-1-thiophen-2-ylethyl]-dimethylazanium is sourced from PubChem (CID 7945287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).