N-(2-methyl-2-methylsulfonylpropyl)-3-sulfanylpropanamide

C8H17NO3S2 — CID 107032221

IUPACN-(2-methyl-2-methylsulfonylpropyl)-3-sulfanylpropanamide
SMILESCC(C)(CNC(=O)CCS)S(C)(=O)=O
InChIInChI=1S/C8H17NO3S2/c1-8(2,14(3,11)12)6-9-7(10)4-5-13/h13H,4-6H2,1-3H3,(H,9,10)
InChIKeyQCMACOIFGQZSDU-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.25
Rot. Bonds5

About N-(2-methyl-2-methylsulfonylpropyl)-3-sulfanylpropanamide

N-(2-methyl-2-methylsulfonylpropyl)-3-sulfanylpropanamide (PubChem CID 107032221) has the molecular formula C8H17NO3S2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(2-methyl-2-methylsulfonylpropyl)-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-methyl-2-methylsulfonylpropyl)-3-sulfanylpropanamide
PubChem CID107032221
Molecular FormulaC8H17NO3S2
Molecular Weight239.36 g/mol
Exact Mass239.06
IUPAC NameN-(2-methyl-2-methylsulfonylpropyl)-3-sulfanylpropanamide
SMILESCC(C)(CNC(=O)CCS)S(C)(=O)=O
InChIInChI=1S/C8H17NO3S2/c1-8(2,14(3,11)12)6-9-7(10)4-5-13/h13H,4-6H2,1-3H3,(H,9,10)
InChIKeyQCMACOIFGQZSDU-UHFFFAOYSA-N
XLogP0.25
TPSA63.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(2-methyl-2-methylsulfonylpropyl)pentanamide
CID 79550040
7-amino-N-(2-methyl-2-methylsulfonylpropyl)heptanamide
CID 79550577
2-[2-[(2-methyl-2-methylsulfonylpropyl)amino]-2-oxoethoxy]acetic acid
CID 79558619
2-(1-aminocyclopentyl)-N-(2-methyl-2-methylsulfonylpropyl)acetamide
CID 79551122
3-methyl-N-(2-methyl-2-methylsulfonylpropyl)-2-sulfanylbutanamide
CID 107032215
2-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)-2-oxoacetamide
CID 79557245
3-(3-aminophenyl)-N-(2-methyl-2-methylsulfonylpropyl)propanamide
CID 79556235
3-amino-2,2-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)propanamide
CID 79563054
N-tert-butyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]acetamide
CID 79551841
N-[2-(4-bromophenyl)-2-methylpropyl]-3-sulfanylpropanamide
CID 115168128
1-ethyl-3-(2-methyl-2-methylsulfonylpropyl)thiourea
CID 115675097
(2S)-2-amino-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide
CID 79551034

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-methylsulfonylpropyl)-3-sulfanylpropanamide?
The IUPAC name of N-(2-methyl-2-methylsulfonylpropyl)-3-sulfanylpropanamide (CID 107032221) is N-(2-methyl-2-methylsulfonylpropyl)-3-sulfanylpropanamide.
What is the SMILES notation for N-(2-methyl-2-methylsulfonylpropyl)-3-sulfanylpropanamide?
The canonical SMILES for N-(2-methyl-2-methylsulfonylpropyl)-3-sulfanylpropanamide is CC(C)(CNC(=O)CCS)S(C)(=O)=O.
What is the InChIKey of N-(2-methyl-2-methylsulfonylpropyl)-3-sulfanylpropanamide?
The InChIKey is QCMACOIFGQZSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S2/c1-8(2,14(3,11)12)6-9-7(10)4-5-13/h13H,4-6H2,1-3H3,(H,9,10).
What are the key properties of N-(2-methyl-2-methylsulfonylpropyl)-3-sulfanylpropanamide?
N-(2-methyl-2-methylsulfonylpropyl)-3-sulfanylpropanamide has a molecular weight of 239.36 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-methylsulfonylpropyl)-3-sulfanylpropanamide is sourced from PubChem (CID 107032221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).