N-(2,2-dimethylthietan-3-yl)-2-sulfanylacetamide

C7H13NOS2 — CID 131187285

IUPACN-(2,2-dimethylthietan-3-yl)-2-sulfanylacetamide
SMILESCC1(C)SCC1NC(=O)CS
InChIInChI=1S/C7H13NOS2/c1-7(2)5(4-11-7)8-6(9)3-10/h5,10H,3-4H2,1-2H3,(H,8,9)
InChIKeyPJFUMAWQCSDKAD-UHFFFAOYSA-N
MW191.32 g/mol
LogP0.93
Rot. Bonds2

About N-(2,2-dimethylthietan-3-yl)-2-sulfanylacetamide

N-(2,2-dimethylthietan-3-yl)-2-sulfanylacetamide (PubChem CID 131187285) has the molecular formula C7H13NOS2 and a molecular weight of 191.32 g/mol. Its IUPAC name is N-(2,2-dimethylthietan-3-yl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(2,2-dimethylthietan-3-yl)-2-sulfanylacetamide
PubChem CID131187285
Molecular FormulaC7H13NOS2
Molecular Weight191.32 g/mol
Exact Mass191.04
IUPAC NameN-(2,2-dimethylthietan-3-yl)-2-sulfanylacetamide
SMILESCC1(C)SCC1NC(=O)CS
InChIInChI=1S/C7H13NOS2/c1-7(2)5(4-11-7)8-6(9)3-10/h5,10H,3-4H2,1-2H3,(H,8,9)
InChIKeyPJFUMAWQCSDKAD-UHFFFAOYSA-N
XLogP0.93
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dimethylthietan-3-yl)-2-methylbutanamide
CID 126989201
ethyl N-(2,2-dimethylthietan-3-yl)carbamate
CID 130725515
(2S)-N-(2,2-dimethylthietan-3-yl)-2-hydroxypropanamide
CID 130639197
2-amino-N-(2,2-dimethylthietan-3-yl)propanamide
CID 127011786
trans-(1S,2S)-N-(2,2-dimethylthietan-3-yl)-2-methylcyclopropane-1-carboxamide
CID 127004064
2-bromo-N-(2,2-dimethylthietan-3-yl)propanamide
CID 131010692
(Z)-4-[(2,2-dimethylthietan-3-yl)amino]-4-oxobut-2-enoic acid
CID 131239479
N-(4-methylthiolan-3-yl)-2-sulfanylacetamide
CID 131001602
2-amino-2-cyclopropyl-N-(2,2-dimethylthietan-3-yl)acetamide
CID 130855763
N-(2,2-dimethylthietan-3-yl)methanesulfonamide
CID 126994647
2-sulfanyl-N-[(1R,2R)-2-[(2-sulfanylacetyl)amino]cyclohexyl]acetamide
CID 10015594
N-cycloundecyl-2-sulfanylacetamide
CID 59400510

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylthietan-3-yl)-2-sulfanylacetamide?
The IUPAC name of N-(2,2-dimethylthietan-3-yl)-2-sulfanylacetamide (CID 131187285) is N-(2,2-dimethylthietan-3-yl)-2-sulfanylacetamide.
What is the SMILES notation for N-(2,2-dimethylthietan-3-yl)-2-sulfanylacetamide?
The canonical SMILES for N-(2,2-dimethylthietan-3-yl)-2-sulfanylacetamide is CC1(C)SCC1NC(=O)CS.
What is the InChIKey of N-(2,2-dimethylthietan-3-yl)-2-sulfanylacetamide?
The InChIKey is PJFUMAWQCSDKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS2/c1-7(2)5(4-11-7)8-6(9)3-10/h5,10H,3-4H2,1-2H3,(H,8,9).
What are the key properties of N-(2,2-dimethylthietan-3-yl)-2-sulfanylacetamide?
N-(2,2-dimethylthietan-3-yl)-2-sulfanylacetamide has a molecular weight of 191.32 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylthietan-3-yl)-2-sulfanylacetamide is sourced from PubChem (CID 131187285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).