propan-2-yl N-[4-[methyl(methylidene)-λ4-sulfanyl]butyl]carbamate

C10H21NO2S — CID 123554481

IUPACpropan-2-yl N-[4-[methyl(methylidene)-λ4-sulfanyl]butyl]carbamate
SMILESC=S(C)CCCCNC(=O)OC(C)C
InChIInChI=1S/C10H21NO2S/c1-9(2)13-10(12)11-7-5-6-8-14(3)4/h9H,3,5-8H2,1-2,4H3,(H,11,12)
InChIKeyUYZWISVSLHTMIS-UHFFFAOYSA-N
MW219.35 g/mol
LogP2.23
Rot. Bonds6

About propan-2-yl N-[4-[methyl(methylidene)-λ4-sulfanyl]butyl]carbamate

propan-2-yl N-[4-[methyl(methylidene)-λ4-sulfanyl]butyl]carbamate (PubChem CID 123554481) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is propan-2-yl N-[4-[methyl(methylidene)-λ4-sulfanyl]butyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4-[methyl(methylidene)-λ4-sulfanyl]butyl]carbamate
PubChem CID123554481
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Namepropan-2-yl N-[4-[methyl(methylidene)-λ4-sulfanyl]butyl]carbamate
SMILESC=S(C)CCCCNC(=O)OC(C)C
InChIInChI=1S/C10H21NO2S/c1-9(2)13-10(12)11-7-5-6-8-14(3)4/h9H,3,5-8H2,1-2,4H3,(H,11,12)
InChIKeyUYZWISVSLHTMIS-UHFFFAOYSA-N
XLogP2.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-[methyl(methylidene)-λ4-sulfanyl]butyl]carbamate?
The IUPAC name of propan-2-yl N-[4-[methyl(methylidene)-λ4-sulfanyl]butyl]carbamate (CID 123554481) is propan-2-yl N-[4-[methyl(methylidene)-λ4-sulfanyl]butyl]carbamate.
What is the SMILES notation for propan-2-yl N-[4-[methyl(methylidene)-λ4-sulfanyl]butyl]carbamate?
The canonical SMILES for propan-2-yl N-[4-[methyl(methylidene)-λ4-sulfanyl]butyl]carbamate is C=S(C)CCCCNC(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-[4-[methyl(methylidene)-λ4-sulfanyl]butyl]carbamate?
The InChIKey is UYZWISVSLHTMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-9(2)13-10(12)11-7-5-6-8-14(3)4/h9H,3,5-8H2,1-2,4H3,(H,11,12).
What are the key properties of propan-2-yl N-[4-[methyl(methylidene)-λ4-sulfanyl]butyl]carbamate?
propan-2-yl N-[4-[methyl(methylidene)-λ4-sulfanyl]butyl]carbamate has a molecular weight of 219.35 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4-[methyl(methylidene)-λ4-sulfanyl]butyl]carbamate is sourced from PubChem (CID 123554481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).