2-(3-amino-2-methylpropyl)sulfinyl-N-propylacetamide

C9H20N2O2S — CID 81201708

IUPAC2-(3-amino-2-methylpropyl)sulfinyl-N-propylacetamide
SMILESCCCNC(=O)CS(=O)CC(C)CN
InChIInChI=1S/C9H20N2O2S/c1-3-4-11-9(12)7-14(13)6-8(2)5-10/h8H,3-7,10H2,1-2H3,(H,11,12)
InChIKeyXKEIXTHSCSPXOM-UHFFFAOYSA-N
MW220.34 g/mol
LogP-0.14
Rot. Bonds7

About 2-(3-amino-2-methylpropyl)sulfinyl-N-propylacetamide

2-(3-amino-2-methylpropyl)sulfinyl-N-propylacetamide (PubChem CID 81201708) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 2-(3-amino-2-methylpropyl)sulfinyl-N-propylacetamide.

Molecular Properties

Compound Name2-(3-amino-2-methylpropyl)sulfinyl-N-propylacetamide
PubChem CID81201708
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name2-(3-amino-2-methylpropyl)sulfinyl-N-propylacetamide
SMILESCCCNC(=O)CS(=O)CC(C)CN
InChIInChI=1S/C9H20N2O2S/c1-3-4-11-9(12)7-14(13)6-8(2)5-10/h8H,3-7,10H2,1-2H3,(H,11,12)
InChIKeyXKEIXTHSCSPXOM-UHFFFAOYSA-N
XLogP-0.14
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-amino-2-methylpropyl)sulfinyl-N-(2-methoxyethyl)acetamide
CID 81201126
2-(3-amino-2-methylpropyl)sulfinyl-N-(cyclopropylmethyl)acetamide
CID 81200813
N'-(3-amino-2-methylpropyl)-N-propylbutanediamide
CID 119998426
3-methyl-N-propylhexanamide
CID 143315126
2-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-N-propylacetamide
CID 43252897
3,4-diamino-N-propylbutanamide
CID 66426337
4-amino-3-methyl-N-(2-methylsulfinylethyl)butanamide
CID 115739206
2-[3-(ethylamino)pentan-2-ylsulfinyl]-N-propylacetamide
CID 114232693
(4R)-4-amino-N-propylpentanamide
CID 146234117
2-(2-aminoethylsulfinyl)-N-propylpropanamide
CID 81175883
3-amino-2-methylpropane-1-sulfinic acid
CID 55285402
ethane;6-(2-methylpropylsulfinyl)-N-propylhexanamide
CID 145216593

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylpropyl)sulfinyl-N-propylacetamide?
The IUPAC name of 2-(3-amino-2-methylpropyl)sulfinyl-N-propylacetamide (CID 81201708) is 2-(3-amino-2-methylpropyl)sulfinyl-N-propylacetamide.
What is the SMILES notation for 2-(3-amino-2-methylpropyl)sulfinyl-N-propylacetamide?
The canonical SMILES for 2-(3-amino-2-methylpropyl)sulfinyl-N-propylacetamide is CCCNC(=O)CS(=O)CC(C)CN.
What is the InChIKey of 2-(3-amino-2-methylpropyl)sulfinyl-N-propylacetamide?
The InChIKey is XKEIXTHSCSPXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-3-4-11-9(12)7-14(13)6-8(2)5-10/h8H,3-7,10H2,1-2H3,(H,11,12).
What are the key properties of 2-(3-amino-2-methylpropyl)sulfinyl-N-propylacetamide?
2-(3-amino-2-methylpropyl)sulfinyl-N-propylacetamide has a molecular weight of 220.34 g/mol, XLogP of -0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylpropyl)sulfinyl-N-propylacetamide is sourced from PubChem (CID 81201708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).