tert-butyl N-(1-amino-1-sulfanylidenepentan-3-yl)carbamate

C10H20N2O2S — CID 62651256

IUPACtert-butyl N-(1-amino-1-sulfanylidenepentan-3-yl)carbamate
SMILESCCC(CC(N)=S)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O2S/c1-5-7(6-8(11)15)12-9(13)14-10(2,3)4/h7H,5-6H2,1-4H3,(H2,11,15)(H,12,13)
InChIKeyAOAWMTCDMMYOFJ-UHFFFAOYSA-N
MW232.35 g/mol
LogP1.97
Rot. Bonds4

About tert-butyl N-(1-amino-1-sulfanylidenepentan-3-yl)carbamate

tert-butyl N-(1-amino-1-sulfanylidenepentan-3-yl)carbamate (PubChem CID 62651256) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is tert-butyl N-(1-amino-1-sulfanylidenepentan-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-amino-1-sulfanylidenepentan-3-yl)carbamate
PubChem CID62651256
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Nametert-butyl N-(1-amino-1-sulfanylidenepentan-3-yl)carbamate
SMILESCCC(CC(N)=S)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O2S/c1-5-7(6-8(11)15)12-9(13)14-10(2,3)4/h7H,5-6H2,1-4H3,(H2,11,15)(H,12,13)
InChIKeyAOAWMTCDMMYOFJ-UHFFFAOYSA-N
XLogP1.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-(1-amino-1-sulfanylidenepentan-3-yl)-2-methoxy-2-methylpropanamide
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tert-butyl N-[(1R)-1-aminopropyl]carbamate
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tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
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tert-butyl N-[(2S)-1-methoxybutan-2-yl]carbamate
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tert-butyl N-[(2R)-4-amino-1-hydroxy-4-oxobutan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-amino-1-sulfanylidenepentan-3-yl)carbamate?
The IUPAC name of tert-butyl N-(1-amino-1-sulfanylidenepentan-3-yl)carbamate (CID 62651256) is tert-butyl N-(1-amino-1-sulfanylidenepentan-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-amino-1-sulfanylidenepentan-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-amino-1-sulfanylidenepentan-3-yl)carbamate is CCC(CC(N)=S)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1-amino-1-sulfanylidenepentan-3-yl)carbamate?
The InChIKey is AOAWMTCDMMYOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-5-7(6-8(11)15)12-9(13)14-10(2,3)4/h7H,5-6H2,1-4H3,(H2,11,15)(H,12,13).
What are the key properties of tert-butyl N-(1-amino-1-sulfanylidenepentan-3-yl)carbamate?
tert-butyl N-(1-amino-1-sulfanylidenepentan-3-yl)carbamate has a molecular weight of 232.35 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-amino-1-sulfanylidenepentan-3-yl)carbamate is sourced from PubChem (CID 62651256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).