N-(cyclopropylmethyl)-2-[2-(methanesulfonamido)ethylamino]acetamide

C9H19N3O3S — CID 43546037

IUPACN-(cyclopropylmethyl)-2-[2-(methanesulfonamido)ethylamino]acetamide
SMILESCS(=O)(=O)NCCNCC(=O)NCC1CC1
InChIInChI=1S/C9H19N3O3S/c1-16(14,15)12-5-4-10-7-9(13)11-6-8-2-3-8/h8,10,12H,2-7H2,1H3,(H,11,13)
InChIKeyQFCCSIKOJXTIFZ-UHFFFAOYSA-N
MW249.34 g/mol
LogP-1.35
Rot. Bonds8

About N-(cyclopropylmethyl)-2-[2-(methanesulfonamido)ethylamino]acetamide

N-(cyclopropylmethyl)-2-[2-(methanesulfonamido)ethylamino]acetamide (PubChem CID 43546037) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[2-(methanesulfonamido)ethylamino]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[2-(methanesulfonamido)ethylamino]acetamide
PubChem CID43546037
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC NameN-(cyclopropylmethyl)-2-[2-(methanesulfonamido)ethylamino]acetamide
SMILESCS(=O)(=O)NCCNCC(=O)NCC1CC1
InChIInChI=1S/C9H19N3O3S/c1-16(14,15)12-5-4-10-7-9(13)11-6-8-2-3-8/h8,10,12H,2-7H2,1H3,(H,11,13)
InChIKeyQFCCSIKOJXTIFZ-UHFFFAOYSA-N
XLogP-1.35
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 5-1.35
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

N-(cyclopropylmethyl)-2-(2-methylpropylamino)acetamide
CID 28566205
2-(cyclopropylmethylamino)-N-[3-(ethylsulfonylamino)propyl]acetamide
CID 119763131
N-[(4-ethylcyclohexyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119743684
2-(cyclopropylmethylamino)-N-[(1-methylpiperidin-4-yl)methyl]acetamide;dihydrochloride
CID 119866901
N-(cyclopropylmethyl)-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 43567877
N-(cyclopropylmethyl)-2-[(1-methylcyclopentyl)methylamino]acetamide
CID 63821683
N-(2-acetamidoethyl)-2-(cyclopropylmethylamino)acetamide
CID 60867423
N-(cyclopropylmethyl)-2-(methoxyamino)acetamide
CID 60721216
2-[3-(methanesulfonamido)propylamino]-N-(3-methoxypropyl)acetamide
CID 106336845
N-(cyclopropylmethyl)-2-[(3-hydroxy-2-methylpropyl)amino]acetamide
CID 65035969
N-(cyclohexylmethyl)-2-(3-ethoxypropylamino)acetamide
CID 3226695
N-[(4-methylcyclohexyl)methyl]-2-(prop-2-ynylamino)acetamide
CID 79272351

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[2-(methanesulfonamido)ethylamino]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[2-(methanesulfonamido)ethylamino]acetamide (CID 43546037) is N-(cyclopropylmethyl)-2-[2-(methanesulfonamido)ethylamino]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[2-(methanesulfonamido)ethylamino]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[2-(methanesulfonamido)ethylamino]acetamide is CS(=O)(=O)NCCNCC(=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[2-(methanesulfonamido)ethylamino]acetamide?
The InChIKey is QFCCSIKOJXTIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S/c1-16(14,15)12-5-4-10-7-9(13)11-6-8-2-3-8/h8,10,12H,2-7H2,1H3,(H,11,13).
What are the key properties of N-(cyclopropylmethyl)-2-[2-(methanesulfonamido)ethylamino]acetamide?
N-(cyclopropylmethyl)-2-[2-(methanesulfonamido)ethylamino]acetamide has a molecular weight of 249.34 g/mol, XLogP of -1.35, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[2-(methanesulfonamido)ethylamino]acetamide is sourced from PubChem (CID 43546037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).