N,N-diethyl-2-[3-(propan-2-ylamino)propylsulfonyl]acetamide

C12H26N2O3S — CID 114232617

IUPACN,N-diethyl-2-[3-(propan-2-ylamino)propylsulfonyl]acetamide
SMILESCCN(CC)C(=O)CS(=O)(=O)CCCNC(C)C
InChIInChI=1S/C12H26N2O3S/c1-5-14(6-2)12(15)10-18(16,17)9-7-8-13-11(3)4/h11,13H,5-10H2,1-4H3
InChIKeyRGGQGJQCMFHYKY-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.66
Rot. Bonds9

About N,N-diethyl-2-[3-(propan-2-ylamino)propylsulfonyl]acetamide

N,N-diethyl-2-[3-(propan-2-ylamino)propylsulfonyl]acetamide (PubChem CID 114232617) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is N,N-diethyl-2-[3-(propan-2-ylamino)propylsulfonyl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[3-(propan-2-ylamino)propylsulfonyl]acetamide
PubChem CID114232617
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC NameN,N-diethyl-2-[3-(propan-2-ylamino)propylsulfonyl]acetamide
SMILESCCN(CC)C(=O)CS(=O)(=O)CCCNC(C)C
InChIInChI=1S/C12H26N2O3S/c1-5-14(6-2)12(15)10-18(16,17)9-7-8-13-11(3)4/h11,13H,5-10H2,1-4H3
InChIKeyRGGQGJQCMFHYKY-UHFFFAOYSA-N
XLogP0.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
CID 60850058
3-(3-methylbutylsulfonyl)-N-propan-2-ylpropan-1-amine
CID 107757850
1-ethylsulfonyl-6-(propan-2-ylamino)hexan-3-one
CID 106736244
N,N-diethyl-3-(2-ethylsulfonylethylamino)propanamide
CID 112695679
N-[3-(dimethylamino)propyl]-N-ethyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 102994809
2-[2-(1,3-dioxan-2-yl)ethylsulfonyl]-N,N-diethylacetamide
CID 114233194
3-(propan-2-ylamino)propane-1-sulfonic acid;tetramethylazanium
CID 88549181
3-(propan-2-ylamino)propane-1-sulfonic acid;bis(tetramethylazanium)
CID 88549743
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propan-2-ylamino)propanamide
CID 54869110
N'-(3-ethylsulfonylpropyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 65093188
methyl 2-(3-ethylsulfonylpropylamino)propanoate
CID 65092726
N,N-diethyl-2-[4-hydroxy-2-(methylamino)butyl]sulfonylacetamide
CID 114232868

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[3-(propan-2-ylamino)propylsulfonyl]acetamide?
The IUPAC name of N,N-diethyl-2-[3-(propan-2-ylamino)propylsulfonyl]acetamide (CID 114232617) is N,N-diethyl-2-[3-(propan-2-ylamino)propylsulfonyl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[3-(propan-2-ylamino)propylsulfonyl]acetamide?
The canonical SMILES for N,N-diethyl-2-[3-(propan-2-ylamino)propylsulfonyl]acetamide is CCN(CC)C(=O)CS(=O)(=O)CCCNC(C)C.
What is the InChIKey of N,N-diethyl-2-[3-(propan-2-ylamino)propylsulfonyl]acetamide?
The InChIKey is RGGQGJQCMFHYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-5-14(6-2)12(15)10-18(16,17)9-7-8-13-11(3)4/h11,13H,5-10H2,1-4H3.
What are the key properties of N,N-diethyl-2-[3-(propan-2-ylamino)propylsulfonyl]acetamide?
N,N-diethyl-2-[3-(propan-2-ylamino)propylsulfonyl]acetamide has a molecular weight of 278.42 g/mol, XLogP of 0.66, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[3-(propan-2-ylamino)propylsulfonyl]acetamide is sourced from PubChem (CID 114232617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).