N-ethylsulfonyl-2-(propan-2-ylamino)acetamide

C7H16N2O3S — CID 103306965

IUPACN-ethylsulfonyl-2-(propan-2-ylamino)acetamide
SMILESCCS(=O)(=O)NC(=O)CNC(C)C
InChIInChI=1S/C7H16N2O3S/c1-4-13(11,12)9-7(10)5-8-6(2)3/h6,8H,4-5H2,1-3H3,(H,9,10)
InChIKeyWDAPNJPNWYLWRW-UHFFFAOYSA-N
MW208.28 g/mol
LogP-0.55
Rot. Bonds5

About N-ethylsulfonyl-2-(propan-2-ylamino)acetamide

N-ethylsulfonyl-2-(propan-2-ylamino)acetamide (PubChem CID 103306965) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is N-ethylsulfonyl-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-ethylsulfonyl-2-(propan-2-ylamino)acetamide
PubChem CID103306965
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC NameN-ethylsulfonyl-2-(propan-2-ylamino)acetamide
SMILESCCS(=O)(=O)NC(=O)CNC(C)C
InChIInChI=1S/C7H16N2O3S/c1-4-13(11,12)9-7(10)5-8-6(2)3/h6,8H,4-5H2,1-3H3,(H,9,10)
InChIKeyWDAPNJPNWYLWRW-UHFFFAOYSA-N
XLogP-0.55
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylamino)-N-ethylsulfonylbutanamide
CID 103307032
5-amino-N-ethylsulfonyl-4-methylpentanamide
CID 103306873
N-(2-methyl-3-oxopentan-2-yl)-2-(propan-2-ylamino)acetamide
CID 156516034
N-ethylsulfonyl-2-(2-methoxyethylamino)acetamide
CID 103306916
N-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(2-oxobutylamino)ethyl]amino]ethyl]amino]ethyl]-2-(propan-2-ylamino)acetamide
CID 163498678
N-[3-(hydroxymethyl)pentan-3-yl]-2-(propan-2-ylamino)acetamide
CID 62520694
ethane;1-(propan-2-ylamino)butan-2-one
CID 176992456
3-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid
CID 61160050
N-(1-hydroxypropan-2-yl)-2-(propan-2-ylamino)acetamide
CID 60841467
(3S)-3-(aminomethyl)-N-ethylsulfonyl-5-methylhexanamide
CID 103307051
methyl 2-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]propanoate
CID 60841662
N-(4-hydroxybutan-2-yl)-2-(propan-2-ylamino)acetamide
CID 83176839

Frequently Asked Questions

What is the IUPAC name of N-ethylsulfonyl-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-ethylsulfonyl-2-(propan-2-ylamino)acetamide (CID 103306965) is N-ethylsulfonyl-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-ethylsulfonyl-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-ethylsulfonyl-2-(propan-2-ylamino)acetamide is CCS(=O)(=O)NC(=O)CNC(C)C.
What is the InChIKey of N-ethylsulfonyl-2-(propan-2-ylamino)acetamide?
The InChIKey is WDAPNJPNWYLWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-4-13(11,12)9-7(10)5-8-6(2)3/h6,8H,4-5H2,1-3H3,(H,9,10).
What are the key properties of N-ethylsulfonyl-2-(propan-2-ylamino)acetamide?
N-ethylsulfonyl-2-(propan-2-ylamino)acetamide has a molecular weight of 208.28 g/mol, XLogP of -0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylsulfonyl-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 103306965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).