N,N'-bis(butan-2-yldisulfanyl)oxamide

C10H20N2O2S4 — CID 21150748

IUPACN,N'-bis(butan-2-yldisulfanyl)oxamide
SMILESCCC(C)SSNC(=O)C(=O)NSSC(C)CC
InChIInChI=1S/C10H20N2O2S4/c1-5-7(3)15-17-11-9(13)10(14)12-18-16-8(4)6-2/h7-8H,5-6H2,1-4H3,(H,11,13)(H,12,14)
InChIKeySNXRCJJWPALOOA-UHFFFAOYSA-N
MW328.55 g/mol
LogP3.41
Rot. Bonds8

About N,N'-bis(butan-2-yldisulfanyl)oxamide

N,N'-bis(butan-2-yldisulfanyl)oxamide (PubChem CID 21150748) has the molecular formula C10H20N2O2S4 and a molecular weight of 328.55 g/mol. Its IUPAC name is N,N'-bis(butan-2-yldisulfanyl)oxamide.

Molecular Properties

Compound NameN,N'-bis(butan-2-yldisulfanyl)oxamide
PubChem CID21150748
Molecular FormulaC10H20N2O2S4
Molecular Weight328.55 g/mol
Exact Mass328.04
IUPAC NameN,N'-bis(butan-2-yldisulfanyl)oxamide
SMILESCCC(C)SSNC(=O)C(=O)NSSC(C)CC
InChIInChI=1S/C10H20N2O2S4/c1-5-7(3)15-17-11-9(13)10(14)12-18-16-8(4)6-2/h7-8H,5-6H2,1-4H3,(H,11,13)(H,12,14)
InChIKeySNXRCJJWPALOOA-UHFFFAOYSA-N
XLogP3.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.55
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[(2R)-butan-2-yl]disulfanyl]butane
CID 7458634
4-(butan-2-yldisulfanyl)pentan-2-one
CID 162715141
2-(butan-2-ylhexasulfanyl)butane
CID 102352533
S-butan-2-yl 3-oxobutanethioate
CID 558951
2-methylbutanoylcarbamic acid
CID 87928192
(2R)-2-hydroxysulfanylbutane
CID 142533001
magnesium bis(2-methylbutanoate)
CID 88739715
butan-2-yl N-methylsulfanylcarbamate
CID 139310202
butan-2-yl thiohypochlorite;carbamic acid
CID 88674015
2-(propan-2-yloxymethyldisulfanyl)butane
CID 139445129
4-butan-2-ylsulfanyl-2-(methylamino)butanamide
CID 63034115
butan-2-ylsulfanyl propanoate
CID 57189829

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(butan-2-yldisulfanyl)oxamide?
The IUPAC name of N,N'-bis(butan-2-yldisulfanyl)oxamide (CID 21150748) is N,N'-bis(butan-2-yldisulfanyl)oxamide.
What is the SMILES notation for N,N'-bis(butan-2-yldisulfanyl)oxamide?
The canonical SMILES for N,N'-bis(butan-2-yldisulfanyl)oxamide is CCC(C)SSNC(=O)C(=O)NSSC(C)CC.
What is the InChIKey of N,N'-bis(butan-2-yldisulfanyl)oxamide?
The InChIKey is SNXRCJJWPALOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S4/c1-5-7(3)15-17-11-9(13)10(14)12-18-16-8(4)6-2/h7-8H,5-6H2,1-4H3,(H,11,13)(H,12,14).
What are the key properties of N,N'-bis(butan-2-yldisulfanyl)oxamide?
N,N'-bis(butan-2-yldisulfanyl)oxamide has a molecular weight of 328.55 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(butan-2-yldisulfanyl)oxamide is sourced from PubChem (CID 21150748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).