N-[2-(cycloheptylamino)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide;hydrochloride

C17H32ClN3O3S — CID 119621223

IUPACN-[2-(cycloheptylamino)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide;hydrochloride
SMILESCl.O=C(CSCC(=O)N1CCOCC1)NCCNC1CCCCCC1
InChIInChI=1S/C17H31N3O3S.ClH/c21-16(13-24-14-17(22)20-9-11-23-12-10-20)19-8-7-18-15-5-3-1-2-4-6-15;/h15,18H,1-14H2,(H,19,21);1H
InChIKeyVULQAPZRRREUJF-UHFFFAOYSA-N
MW393.98 g/mol
LogP1.43
Rot. Bonds8

About N-[2-(cycloheptylamino)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide;hydrochloride

N-[2-(cycloheptylamino)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide;hydrochloride (PubChem CID 119621223) has the molecular formula C17H32ClN3O3S and a molecular weight of 393.98 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide;hydrochloride
PubChem CID119621223
Molecular FormulaC17H32ClN3O3S
Molecular Weight393.98 g/mol
Exact Mass393.19
IUPAC NameN-[2-(cycloheptylamino)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide;hydrochloride
SMILESCl.O=C(CSCC(=O)N1CCOCC1)NCCNC1CCCCCC1
InChIInChI=1S/C17H31N3O3S.ClH/c21-16(13-24-14-17(22)20-9-11-23-12-10-20)19-8-7-18-15-5-3-1-2-4-6-15;/h15,18H,1-14H2,(H,19,21);1H
InChIKeyVULQAPZRRREUJF-UHFFFAOYSA-N
XLogP1.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.98
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 119621224
N-(2-hydroxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 43388901
N-[2-(cycloheptylamino)ethyl]-2-(oxan-2-ylmethylsulfanyl)acetamide;hydrochloride
CID 119620861
N-(5-hydroxypentyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 107318984
N-(2-amino-1-cyclohexylethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 119591812
2-hydroxy-2-methyl-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid
CID 66173764
3-(cyclopropylamino)-1-(1,4-oxazepan-4-yl)propan-1-one
CID 62972370
N-(2-chloroprop-2-enyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 113238668
(2S)-2-hydroxy-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid
CID 107833509
2-hydroxy-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid
CID 66167023
3-(oxepan-4-ylamino)-1-piperidin-1-ylpropan-1-one
CID 112549732
1-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)urea
CID 47277900

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide;hydrochloride?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide;hydrochloride (CID 119621223) is N-[2-(cycloheptylamino)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide;hydrochloride.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide;hydrochloride?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide;hydrochloride is Cl.O=C(CSCC(=O)N1CCOCC1)NCCNC1CCCCCC1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide;hydrochloride?
The InChIKey is VULQAPZRRREUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3S.ClH/c21-16(13-24-14-17(22)20-9-11-23-12-10-20)19-8-7-18-15-5-3-1-2-4-6-15;/h15,18H,1-14H2,(H,19,21);1H.
What are the key properties of N-[2-(cycloheptylamino)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide;hydrochloride?
N-[2-(cycloheptylamino)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide;hydrochloride has a molecular weight of 393.98 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide;hydrochloride is sourced from PubChem (CID 119621223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).