propan-2-yl N-methyl-N-(4-methylsulfanylbutan-2-yl)carbamate

C10H21NO2S — CID 116658052

IUPACpropan-2-yl N-methyl-N-(4-methylsulfanylbutan-2-yl)carbamate
SMILESCSCCC(C)N(C)C(=O)OC(C)C
InChIInChI=1S/C10H21NO2S/c1-8(2)13-10(12)11(4)9(3)6-7-14-5/h8-9H,6-7H2,1-5H3
InChIKeyGABQLVYBMQBTDP-UHFFFAOYSA-N
MW219.35 g/mol
LogP2.60
Rot. Bonds5

About propan-2-yl N-methyl-N-(4-methylsulfanylbutan-2-yl)carbamate

propan-2-yl N-methyl-N-(4-methylsulfanylbutan-2-yl)carbamate (PubChem CID 116658052) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is propan-2-yl N-methyl-N-(4-methylsulfanylbutan-2-yl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-methyl-N-(4-methylsulfanylbutan-2-yl)carbamate
PubChem CID116658052
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Namepropan-2-yl N-methyl-N-(4-methylsulfanylbutan-2-yl)carbamate
SMILESCSCCC(C)N(C)C(=O)OC(C)C
InChIInChI=1S/C10H21NO2S/c1-8(2)13-10(12)11(4)9(3)6-7-14-5/h8-9H,6-7H2,1-5H3
InChIKeyGABQLVYBMQBTDP-UHFFFAOYSA-N
XLogP2.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl N-(4-bromobutan-2-yl)-N-methylcarbamate
CID 88981473
N-methyl-N-(4-methylsulfanylbutan-2-yl)-2-sulfanylpropanamide
CID 107036026
3-[methyl(propan-2-yloxycarbonyl)amino]butanoic acid
CID 175069072
(2S)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)butanamide
CID 103797449
1-methyl-1-(4-methylsulfanylbutan-2-yl)-3-propylurea
CID 115640922
(2R)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide
CID 103797446
(2S)-2-amino-N,3,3-trimethyl-N-(4-methylsulfanylbutan-2-yl)butanamide
CID 104876484
5-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide
CID 107910661
2-hydroxy-1-methyl-1-(4-methylsulfanylbutan-2-yl)guanidine
CID 104876660
2-(4-aminopiperidin-1-yl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide
CID 115740438
(2S)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-4-methylsulfanylbutanamide
CID 61165244
2-[methyl(4-methylsulfanylbutan-2-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102890881

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-methyl-N-(4-methylsulfanylbutan-2-yl)carbamate?
The IUPAC name of propan-2-yl N-methyl-N-(4-methylsulfanylbutan-2-yl)carbamate (CID 116658052) is propan-2-yl N-methyl-N-(4-methylsulfanylbutan-2-yl)carbamate.
What is the SMILES notation for propan-2-yl N-methyl-N-(4-methylsulfanylbutan-2-yl)carbamate?
The canonical SMILES for propan-2-yl N-methyl-N-(4-methylsulfanylbutan-2-yl)carbamate is CSCCC(C)N(C)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-methyl-N-(4-methylsulfanylbutan-2-yl)carbamate?
The InChIKey is GABQLVYBMQBTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-8(2)13-10(12)11(4)9(3)6-7-14-5/h8-9H,6-7H2,1-5H3.
What are the key properties of propan-2-yl N-methyl-N-(4-methylsulfanylbutan-2-yl)carbamate?
propan-2-yl N-methyl-N-(4-methylsulfanylbutan-2-yl)carbamate has a molecular weight of 219.35 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-methyl-N-(4-methylsulfanylbutan-2-yl)carbamate is sourced from PubChem (CID 116658052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).