N-[2-(cycloheptylamino)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide;hydrochloride

C15H30ClN3O3S — CID 119620473

IUPACN-[2-(cycloheptylamino)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide;hydrochloride
SMILESCl.O=C(CCN1CCCS1(=O)=O)NCCNC1CCCCCC1
InChIInChI=1S/C15H29N3O3S.ClH/c19-15(8-12-18-11-5-13-22(18,20)21)17-10-9-16-14-6-3-1-2-4-7-14;/h14,16H,1-13H2,(H,17,19);1H
InChIKeyDCKZGCJMKHBLNL-UHFFFAOYSA-N
MW367.94 g/mol
LogP1.26
Rot. Bonds7

About N-[2-(cycloheptylamino)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide;hydrochloride

N-[2-(cycloheptylamino)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide;hydrochloride (PubChem CID 119620473) has the molecular formula C15H30ClN3O3S and a molecular weight of 367.94 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide;hydrochloride
PubChem CID119620473
Molecular FormulaC15H30ClN3O3S
Molecular Weight367.94 g/mol
Exact Mass367.17
IUPAC NameN-[2-(cycloheptylamino)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide;hydrochloride
SMILESCl.O=C(CCN1CCCS1(=O)=O)NCCNC1CCCCCC1
InChIInChI=1S/C15H29N3O3S.ClH/c19-15(8-12-18-11-5-13-22(18,20)21)17-10-9-16-14-6-3-1-2-4-7-14;/h14,16H,1-13H2,(H,17,19);1H
InChIKeyDCKZGCJMKHBLNL-UHFFFAOYSA-N
XLogP1.26
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.94
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119557552
N-[2-(cycloheptylamino)ethyl]-4,4,4-trifluorobutanamide;hydrochloride
CID 119621375
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]oxan-3-amine
CID 115889214
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119512599
N-[2-(cycloheptylamino)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 119619852
N-[2-(cycloheptylamino)ethyl]-3-(triazol-1-yl)propanamide
CID 81482627
3-amino-N-[[1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579124
N-[2-(cycloheptylamino)ethyl]-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide;hydrochloride
CID 119619374
N-[2-(cycloheptylamino)ethyl]-2-(1,1-dioxothiolan-3-yl)acetamide
CID 81486869
N-[2-(cycloheptylamino)ethyl]-4-ethoxybutanamide;hydrochloride
CID 119619598
N-[2-(cycloheptylamino)ethyl]-5-methylsulfanylpentanamide;hydrochloride
CID 119619696
N-[2-(cycloheptylamino)ethyl]azepane-1-carboxamide
CID 115306511

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide;hydrochloride?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide;hydrochloride (CID 119620473) is N-[2-(cycloheptylamino)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide;hydrochloride.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide;hydrochloride?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide;hydrochloride is Cl.O=C(CCN1CCCS1(=O)=O)NCCNC1CCCCCC1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide;hydrochloride?
The InChIKey is DCKZGCJMKHBLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3S.ClH/c19-15(8-12-18-11-5-13-22(18,20)21)17-10-9-16-14-6-3-1-2-4-7-14;/h14,16H,1-13H2,(H,17,19);1H.
What are the key properties of N-[2-(cycloheptylamino)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide;hydrochloride?
N-[2-(cycloheptylamino)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide;hydrochloride has a molecular weight of 367.94 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 119620473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).