propan-2-yl N-(2-methyl-3-methylsulfanylpropyl)carbamate

C9H19NO2S — CID 116656155

IUPACpropan-2-yl N-(2-methyl-3-methylsulfanylpropyl)carbamate
SMILESCSCC(C)CNC(=O)OC(C)C
InChIInChI=1S/C9H19NO2S/c1-7(2)12-9(11)10-5-8(3)6-13-4/h7-8H,5-6H2,1-4H3,(H,10,11)
InChIKeyPTFZKAROZDKUGJ-UHFFFAOYSA-N
MW205.32 g/mol
LogP2.12
Rot. Bonds5

About propan-2-yl N-(2-methyl-3-methylsulfanylpropyl)carbamate

propan-2-yl N-(2-methyl-3-methylsulfanylpropyl)carbamate (PubChem CID 116656155) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is propan-2-yl N-(2-methyl-3-methylsulfanylpropyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(2-methyl-3-methylsulfanylpropyl)carbamate
PubChem CID116656155
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Namepropan-2-yl N-(2-methyl-3-methylsulfanylpropyl)carbamate
SMILESCSCC(C)CNC(=O)OC(C)C
InChIInChI=1S/C9H19NO2S/c1-7(2)12-9(11)10-5-8(3)6-13-4/h7-8H,5-6H2,1-4H3,(H,10,11)
InChIKeyPTFZKAROZDKUGJ-UHFFFAOYSA-N
XLogP2.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl N-(4-hydroxy-2-methylbutyl)carbamate
CID 66106917
methyl 2-[(2-methyl-3-methylsulfanylpropyl)amino]-2-oxoacetate
CID 112617288
ethyl 2-[(2-methyl-3-methylsulfanylpropyl)amino]-2-oxoacetate
CID 63960113
N-(2-methyl-3-methylsulfanylpropyl)-3-oxobutanamide
CID 63960200
3-methyl-N-(2-methylpropyl)butanamide;propan-2-yl N-(2-methylpropyl)carbamate
CID 162127345
(2R)-2-amino-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide
CID 79013022
1-(2-methyl-3-methylsulfanylpropyl)-3-propylurea
CID 115624328
2-methoxy-3-(propan-2-yloxycarbonylamino)propanoic acid
CID 106108243
2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]propanoic acid
CID 63957312
2-cyano-N-(2-methyl-3-methylsulfanylpropyl)acetamide
CID 63959776
(2S)-2-hydroxy-3-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]propanoic acid
CID 107840060
propan-2-yl N-(2-amino-2-cyclopropylethyl)carbamate
CID 63765601

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(2-methyl-3-methylsulfanylpropyl)carbamate?
The IUPAC name of propan-2-yl N-(2-methyl-3-methylsulfanylpropyl)carbamate (CID 116656155) is propan-2-yl N-(2-methyl-3-methylsulfanylpropyl)carbamate.
What is the SMILES notation for propan-2-yl N-(2-methyl-3-methylsulfanylpropyl)carbamate?
The canonical SMILES for propan-2-yl N-(2-methyl-3-methylsulfanylpropyl)carbamate is CSCC(C)CNC(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-(2-methyl-3-methylsulfanylpropyl)carbamate?
The InChIKey is PTFZKAROZDKUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-7(2)12-9(11)10-5-8(3)6-13-4/h7-8H,5-6H2,1-4H3,(H,10,11).
What are the key properties of propan-2-yl N-(2-methyl-3-methylsulfanylpropyl)carbamate?
propan-2-yl N-(2-methyl-3-methylsulfanylpropyl)carbamate has a molecular weight of 205.32 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(2-methyl-3-methylsulfanylpropyl)carbamate is sourced from PubChem (CID 116656155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).