2-(cyclopropylmethylamino)-N-[3-(ethylsulfonylamino)propyl]acetamide

C11H23N3O3S — CID 119763131

IUPAC2-(cyclopropylmethylamino)-N-[3-(ethylsulfonylamino)propyl]acetamide
SMILESCCS(=O)(=O)NCCCNC(=O)CNCC1CC1
InChIInChI=1S/C11H23N3O3S/c1-2-18(16,17)14-7-3-6-13-11(15)9-12-8-10-4-5-10/h10,12,14H,2-9H2,1H3,(H,13,15)
InChIKeyYUHHFNMRSGMZSZ-UHFFFAOYSA-N
MW277.39 g/mol
LogP-0.57
Rot. Bonds10

About 2-(cyclopropylmethylamino)-N-[3-(ethylsulfonylamino)propyl]acetamide

2-(cyclopropylmethylamino)-N-[3-(ethylsulfonylamino)propyl]acetamide (PubChem CID 119763131) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[3-(ethylsulfonylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[3-(ethylsulfonylamino)propyl]acetamide
PubChem CID119763131
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC Name2-(cyclopropylmethylamino)-N-[3-(ethylsulfonylamino)propyl]acetamide
SMILESCCS(=O)(=O)NCCCNC(=O)CNCC1CC1
InChIInChI=1S/C11H23N3O3S/c1-2-18(16,17)14-7-3-6-13-11(15)9-12-8-10-4-5-10/h10,12,14H,2-9H2,1H3,(H,13,15)
InChIKeyYUHHFNMRSGMZSZ-UHFFFAOYSA-N
XLogP-0.57
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylmethylamino)-N-(3-cyclopropylpropyl)acetamide
CID 115740556
1-(cyclopropylmethyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine
CID 111868210
2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride
CID 119835575
N-(2-acetamidoethyl)-2-(cyclopropylmethylamino)acetamide
CID 60867423
2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide;trihydrochloride
CID 119901090
2-[(4-hydroxycyclohexyl)methylamino]-N-propylacetamide
CID 106133332
N-butyl-2-[(3-methylcyclopentyl)methylamino]acetamide
CID 107412540
N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]propyl]cyclobutanecarboxamide;hydrochloride
CID 119809335
2-(cyclopropylmethylamino)-N-[3-(2-hydroxyethoxy)propyl]acetamide
CID 106310701
N-(cyclopropylmethyl)-2-[2-(methanesulfonamido)ethylamino]acetamide
CID 43546037
2-(cyclopropylmethylamino)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]acetamide;hydrochloride
CID 119777904
N-(2-cyclobutylethyl)-2-(cyclopropylmethylamino)acetamide
CID 115739981

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[3-(ethylsulfonylamino)propyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[3-(ethylsulfonylamino)propyl]acetamide (CID 119763131) is 2-(cyclopropylmethylamino)-N-[3-(ethylsulfonylamino)propyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[3-(ethylsulfonylamino)propyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[3-(ethylsulfonylamino)propyl]acetamide is CCS(=O)(=O)NCCCNC(=O)CNCC1CC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[3-(ethylsulfonylamino)propyl]acetamide?
The InChIKey is YUHHFNMRSGMZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-2-18(16,17)14-7-3-6-13-11(15)9-12-8-10-4-5-10/h10,12,14H,2-9H2,1H3,(H,13,15).
What are the key properties of 2-(cyclopropylmethylamino)-N-[3-(ethylsulfonylamino)propyl]acetamide?
2-(cyclopropylmethylamino)-N-[3-(ethylsulfonylamino)propyl]acetamide has a molecular weight of 277.39 g/mol, XLogP of -0.57, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[3-(ethylsulfonylamino)propyl]acetamide is sourced from PubChem (CID 119763131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).