N'-(2-amino-2-sulfanylideneethyl)-N-(4-propan-2-yloxybutyl)oxamide

C11H21N3O3S — CID 106009959

IUPACN'-(2-amino-2-sulfanylideneethyl)-N-(4-propan-2-yloxybutyl)oxamide
SMILESCC(C)OCCCCNC(=O)C(=O)NCC(N)=S
InChIInChI=1S/C11H21N3O3S/c1-8(2)17-6-4-3-5-13-10(15)11(16)14-7-9(12)18/h8H,3-7H2,1-2H3,(H2,12,18)(H,13,15)(H,14,16)
InChIKeyITINUQGCBIECQA-UHFFFAOYSA-N
MW275.37 g/mol
LogP-0.29
Rot. Bonds8

About N'-(2-amino-2-sulfanylideneethyl)-N-(4-propan-2-yloxybutyl)oxamide

N'-(2-amino-2-sulfanylideneethyl)-N-(4-propan-2-yloxybutyl)oxamide (PubChem CID 106009959) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is N'-(2-amino-2-sulfanylideneethyl)-N-(4-propan-2-yloxybutyl)oxamide.

Molecular Properties

Compound NameN'-(2-amino-2-sulfanylideneethyl)-N-(4-propan-2-yloxybutyl)oxamide
PubChem CID106009959
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC NameN'-(2-amino-2-sulfanylideneethyl)-N-(4-propan-2-yloxybutyl)oxamide
SMILESCC(C)OCCCCNC(=O)C(=O)NCC(N)=S
InChIInChI=1S/C11H21N3O3S/c1-8(2)17-6-4-3-5-13-10(15)11(16)14-7-9(12)18/h8H,3-7H2,1-2H3,(H2,12,18)(H,13,15)(H,14,16)
InChIKeyITINUQGCBIECQA-UHFFFAOYSA-N
XLogP-0.29
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-amino-2-sulfanylideneethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]oxamide
CID 114139140
(2R)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)butanamide
CID 106011533
6-propan-2-yloxyhexylcarbamic acid
CID 126658630
N'-(2-amino-2-sulfanylideneethyl)-N-[3-(dimethylamino)propyl]oxamide
CID 43316357
2-chloro-N-(4-propan-2-yloxybutyl)acetamide
CID 82109645
propyl N-(4-propan-2-yloxybutyl)carbamate
CID 149467433
(2S)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)pentanamide
CID 114137059
N-(4-propan-2-yloxybutyl)acetamide;N-(2-propan-2-yloxyethyl)acetamide;N-(3-propan-2-yloxypropyl)acetamide
CID 158348499
N-(4-propan-2-yloxybutyl)prop-2-enamide
CID 59532945
2,3-dimethyl-4-oxo-4-(4-propan-2-yloxybutylamino)butanoic acid
CID 106003621
2-hydroxy-N-(8-propan-2-yloxyoctyl)acetamide;vanadium
CID 154671854
N-[2-oxo-2-(4-propan-2-yloxybutylamino)ethyl]-6-propan-2-yloxyhexanamide
CID 166698453

Frequently Asked Questions

What is the IUPAC name of N'-(2-amino-2-sulfanylideneethyl)-N-(4-propan-2-yloxybutyl)oxamide?
The IUPAC name of N'-(2-amino-2-sulfanylideneethyl)-N-(4-propan-2-yloxybutyl)oxamide (CID 106009959) is N'-(2-amino-2-sulfanylideneethyl)-N-(4-propan-2-yloxybutyl)oxamide.
What is the SMILES notation for N'-(2-amino-2-sulfanylideneethyl)-N-(4-propan-2-yloxybutyl)oxamide?
The canonical SMILES for N'-(2-amino-2-sulfanylideneethyl)-N-(4-propan-2-yloxybutyl)oxamide is CC(C)OCCCCNC(=O)C(=O)NCC(N)=S.
What is the InChIKey of N'-(2-amino-2-sulfanylideneethyl)-N-(4-propan-2-yloxybutyl)oxamide?
The InChIKey is ITINUQGCBIECQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-8(2)17-6-4-3-5-13-10(15)11(16)14-7-9(12)18/h8H,3-7H2,1-2H3,(H2,12,18)(H,13,15)(H,14,16).
What are the key properties of N'-(2-amino-2-sulfanylideneethyl)-N-(4-propan-2-yloxybutyl)oxamide?
N'-(2-amino-2-sulfanylideneethyl)-N-(4-propan-2-yloxybutyl)oxamide has a molecular weight of 275.37 g/mol, XLogP of -0.29, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-amino-2-sulfanylideneethyl)-N-(4-propan-2-yloxybutyl)oxamide is sourced from PubChem (CID 106009959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).