methyl 2-[3-(propylamino)butan-2-ylsulfonyl]acetate

C10H21NO4S — CID 64675960

IUPACmethyl 2-[3-(propylamino)butan-2-ylsulfonyl]acetate
SMILESCCCNC(C)C(C)S(=O)(=O)CC(=O)OC
InChIInChI=1S/C10H21NO4S/c1-5-6-11-8(2)9(3)16(13,14)7-10(12)15-4/h8-9,11H,5-7H2,1-4H3
InChIKeyYVUAKWRJSPTQJG-UHFFFAOYSA-N
MW251.35 g/mol
LogP0.35
Rot. Bonds7

About methyl 2-[3-(propylamino)butan-2-ylsulfonyl]acetate

methyl 2-[3-(propylamino)butan-2-ylsulfonyl]acetate (PubChem CID 64675960) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is methyl 2-[3-(propylamino)butan-2-ylsulfonyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(propylamino)butan-2-ylsulfonyl]acetate
PubChem CID64675960
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Namemethyl 2-[3-(propylamino)butan-2-ylsulfonyl]acetate
SMILESCCCNC(C)C(C)S(=O)(=O)CC(=O)OC
InChIInChI=1S/C10H21NO4S/c1-5-6-11-8(2)9(3)16(13,14)7-10(12)15-4/h8-9,11H,5-7H2,1-4H3
InChIKeyYVUAKWRJSPTQJG-UHFFFAOYSA-N
XLogP0.35
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(3-methylbutan-2-ylsulfonyl)acetate
CID 107746652
3-(2-methoxyethylsulfonyl)-N-propylbutan-2-amine
CID 64646533
methyl 2-(3-aminobutan-2-ylsulfonyl)acetate
CID 64676350
3-(3-methoxypropylsulfonyl)-N-propylbutan-2-amine
CID 64674074
methyl 3-[3-(propylamino)butan-2-ylsulfanyl]propanoate
CID 64613726
tert-butyl 2-[4-(propylamino)pentan-2-ylsulfonyl]acetate
CID 116687609
methyl 3-(3-methylpentan-2-ylamino)propanoate
CID 43139672
butyl 2-(3-methylbutan-2-ylsulfonyl)acetate
CID 107746631
2-(2-methoxyethylsulfonyl)-N-propylpentan-3-amine
CID 64647490
3-ethylsulfonyl-N-methylbutan-2-amine
CID 64645580
2-methoxy-2-oxoethanesulfonate
CID 86306875
methyl 2-(2-methylpropylsulfamoyl)acetate
CID 63928470

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(propylamino)butan-2-ylsulfonyl]acetate?
The IUPAC name of methyl 2-[3-(propylamino)butan-2-ylsulfonyl]acetate (CID 64675960) is methyl 2-[3-(propylamino)butan-2-ylsulfonyl]acetate.
What is the SMILES notation for methyl 2-[3-(propylamino)butan-2-ylsulfonyl]acetate?
The canonical SMILES for methyl 2-[3-(propylamino)butan-2-ylsulfonyl]acetate is CCCNC(C)C(C)S(=O)(=O)CC(=O)OC.
What is the InChIKey of methyl 2-[3-(propylamino)butan-2-ylsulfonyl]acetate?
The InChIKey is YVUAKWRJSPTQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-5-6-11-8(2)9(3)16(13,14)7-10(12)15-4/h8-9,11H,5-7H2,1-4H3.
What are the key properties of methyl 2-[3-(propylamino)butan-2-ylsulfonyl]acetate?
methyl 2-[3-(propylamino)butan-2-ylsulfonyl]acetate has a molecular weight of 251.35 g/mol, XLogP of 0.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(propylamino)butan-2-ylsulfonyl]acetate is sourced from PubChem (CID 64675960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).