2-methyl-N-[(1R)-2-nitro-1-thiophen-2-ylethyl]propane-2-sulfinamide

C10H16N2O3S2 — CID 169115165

IUPAC2-methyl-N-[(1R)-2-nitro-1-thiophen-2-ylethyl]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@H](C[N+](=O)[O-])c1cccs1
InChIInChI=1S/C10H16N2O3S2/c1-10(2,3)17(15)11-8(7-12(13)14)9-5-4-6-16-9/h4-6,8,11H,7H2,1-3H3/t8-,17?/m1/s1
InChIKeyBTOHMGBBODLPIR-OEWHWVHBSA-N
MW276.38 g/mol
LogP2.12
Rot. Bonds5

About 2-methyl-N-[(1R)-2-nitro-1-thiophen-2-ylethyl]propane-2-sulfinamide

2-methyl-N-[(1R)-2-nitro-1-thiophen-2-ylethyl]propane-2-sulfinamide (PubChem CID 169115165) has the molecular formula C10H16N2O3S2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-2-nitro-1-thiophen-2-ylethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[(1R)-2-nitro-1-thiophen-2-ylethyl]propane-2-sulfinamide
PubChem CID169115165
Molecular FormulaC10H16N2O3S2
Molecular Weight276.38 g/mol
Exact Mass276.06
IUPAC Name2-methyl-N-[(1R)-2-nitro-1-thiophen-2-ylethyl]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@H](C[N+](=O)[O-])c1cccs1
InChIInChI=1S/C10H16N2O3S2/c1-10(2,3)17(15)11-8(7-12(13)14)9-5-4-6-16-9/h4-6,8,11H,7H2,1-3H3/t8-,17?/m1/s1
InChIKeyBTOHMGBBODLPIR-OEWHWVHBSA-N
XLogP2.12
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1R)-2-nitro-1-thiophen-2-ylethanol
CID 687342
N-[1-(2,4-difluoro-3-phenoxyphenyl)-2-nitroethyl]-2-methylpropane-2-sulfinamide
CID 131741215
3-nitro-2-thiophen-2-ylpropan-1-amine
CID 10726209
(R)-N-[(R)-(1-ethylcyclobutyl)-thiophen-2-ylmethyl]-2-methylpropane-2-sulfinamide
CID 162770303
(S)-2-methyl-N-[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propane-2-sulfinamide
CID 139254954
methyl 2-[(1S)-2-nitro-1-thiophen-2-ylethyl]sulfanylacetate
CID 132557861
1-[(1R)-2-nitro-1-thiophen-2-ylethyl]benzotriazole
CID 102178700
N-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]-2-methylpropane-2-sulfinamide
CID 53487467
O-(2-nitro-1-thiophen-2-ylethyl) N,N-dimethylcarbamothioate
CID 88792668
tert-butyl N-[(1S,2R)-2-nitro-1-thiophen-2-ylpropyl]carbamate
CID 46201421
N-(2-cyano-1-thiophen-3-ylethyl)-2-methylpropane-2-sulfinamide
CID 134307299
2-[(1S)-2-nitro-1-thiophen-2-ylethyl]-1,3-diphenylpropane-1,3-dione
CID 154708487

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-2-nitro-1-thiophen-2-ylethyl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[(1R)-2-nitro-1-thiophen-2-ylethyl]propane-2-sulfinamide (CID 169115165) is 2-methyl-N-[(1R)-2-nitro-1-thiophen-2-ylethyl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[(1R)-2-nitro-1-thiophen-2-ylethyl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[(1R)-2-nitro-1-thiophen-2-ylethyl]propane-2-sulfinamide is CC(C)(C)S(=O)N[C@H](C[N+](=O)[O-])c1cccs1.
What is the InChIKey of 2-methyl-N-[(1R)-2-nitro-1-thiophen-2-ylethyl]propane-2-sulfinamide?
The InChIKey is BTOHMGBBODLPIR-OEWHWVHBSA-N. The full InChI is InChI=1S/C10H16N2O3S2/c1-10(2,3)17(15)11-8(7-12(13)14)9-5-4-6-16-9/h4-6,8,11H,7H2,1-3H3/t8-,17?/m1/s1.
What are the key properties of 2-methyl-N-[(1R)-2-nitro-1-thiophen-2-ylethyl]propane-2-sulfinamide?
2-methyl-N-[(1R)-2-nitro-1-thiophen-2-ylethyl]propane-2-sulfinamide has a molecular weight of 276.38 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-2-nitro-1-thiophen-2-ylethyl]propane-2-sulfinamide is sourced from PubChem (CID 169115165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).