2-(3-ethylsulfonylpropylamino)-N-propan-2-ylacetamide

C10H22N2O3S — CID 65093410

IUPAC2-(3-ethylsulfonylpropylamino)-N-propan-2-ylacetamide
SMILESCCS(=O)(=O)CCCNCC(=O)NC(C)C
InChIInChI=1S/C10H22N2O3S/c1-4-16(14,15)7-5-6-11-8-10(13)12-9(2)3/h9,11H,4-8H2,1-3H3,(H,12,13)
InChIKeyQZUSPCPPCMDHRQ-UHFFFAOYSA-N
MW250.36 g/mol
LogP-0.07
Rot. Bonds8

About 2-(3-ethylsulfonylpropylamino)-N-propan-2-ylacetamide

2-(3-ethylsulfonylpropylamino)-N-propan-2-ylacetamide (PubChem CID 65093410) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-(3-ethylsulfonylpropylamino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-ethylsulfonylpropylamino)-N-propan-2-ylacetamide
PubChem CID65093410
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name2-(3-ethylsulfonylpropylamino)-N-propan-2-ylacetamide
SMILESCCS(=O)(=O)CCCNCC(=O)NC(C)C
InChIInChI=1S/C10H22N2O3S/c1-4-16(14,15)7-5-6-11-8-10(13)12-9(2)3/h9,11H,4-8H2,1-3H3,(H,12,13)
InChIKeyQZUSPCPPCMDHRQ-UHFFFAOYSA-N
XLogP-0.07
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 5-0.07
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

N-propan-2-yl-2-(propylamino)acetamide
CID 28586282
2-(7-methyloctylamino)-N-propan-2-ylacetamide
CID 103604939
2-(2-ethylsulfanylethylamino)-N-propan-2-ylacetamide
CID 104668411
3-[[2-(butylamino)-2-oxoethyl]amino]-N-propan-2-ylpropanamide
CID 112685288
N-propan-2-yl-2-(sulfamoylamino)acetamide
CID 112684221
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 28586640
N-butan-2-yl-2-(octylamino)acetamide
CID 78914360
N-propan-2-yl-2-(propan-2-ylsulfonylamino)acetamide
CID 47371491
N-butan-2-yl-2-(3-methylsulfanylpropylamino)acetamide
CID 63964905
N-tert-butyl-2-(2-ethylsulfonylethylamino)acetamide
CID 115356498
2-(4-hydroxybutylamino)-N-(3-methylbutan-2-yl)acetamide
CID 106841692
2-(2-aminoethylsulfonylamino)-N-propan-2-ylacetamide
CID 43567968

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfonylpropylamino)-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-ethylsulfonylpropylamino)-N-propan-2-ylacetamide (CID 65093410) is 2-(3-ethylsulfonylpropylamino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-ethylsulfonylpropylamino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-ethylsulfonylpropylamino)-N-propan-2-ylacetamide is CCS(=O)(=O)CCCNCC(=O)NC(C)C.
What is the InChIKey of 2-(3-ethylsulfonylpropylamino)-N-propan-2-ylacetamide?
The InChIKey is QZUSPCPPCMDHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-4-16(14,15)7-5-6-11-8-10(13)12-9(2)3/h9,11H,4-8H2,1-3H3,(H,12,13).
What are the key properties of 2-(3-ethylsulfonylpropylamino)-N-propan-2-ylacetamide?
2-(3-ethylsulfonylpropylamino)-N-propan-2-ylacetamide has a molecular weight of 250.36 g/mol, XLogP of -0.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfonylpropylamino)-N-propan-2-ylacetamide is sourced from PubChem (CID 65093410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).