(R)-N-[(R)-(1-ethylcyclobutyl)-thiophen-2-ylmethyl]-2-methylpropane-2-sulfinamide

C15H25NOS2 — CID 162770303

IUPAC(R)-N-[(R)-(1-ethylcyclobutyl)-thiophen-2-ylmethyl]-2-methylpropane-2-sulfinamide
SMILESCCC1([C@@H](N[S@](=O)C(C)(C)C)c2cccs2)CCC1
InChIInChI=1S/C15H25NOS2/c1-5-15(9-7-10-15)13(12-8-6-11-18-12)16-19(17)14(2,3)4/h6,8,11,13,16H,5,7,9-10H2,1-4H3/t13-,19+/m0/s1
InChIKeyXBWLAHXABXGSDE-ORAYPTAESA-N
MW299.50 g/mol
LogP4.42
Rot. Bonds5

About (R)-N-[(R)-(1-ethylcyclobutyl)-thiophen-2-ylmethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(R)-(1-ethylcyclobutyl)-thiophen-2-ylmethyl]-2-methylpropane-2-sulfinamide (PubChem CID 162770303) has the molecular formula C15H25NOS2 and a molecular weight of 299.50 g/mol. Its IUPAC name is (R)-N-[(R)-(1-ethylcyclobutyl)-thiophen-2-ylmethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(R)-(1-ethylcyclobutyl)-thiophen-2-ylmethyl]-2-methylpropane-2-sulfinamide
PubChem CID162770303
Molecular FormulaC15H25NOS2
Molecular Weight299.50 g/mol
Exact Mass299.14
IUPAC Name(R)-N-[(R)-(1-ethylcyclobutyl)-thiophen-2-ylmethyl]-2-methylpropane-2-sulfinamide
SMILESCCC1([C@@H](N[S@](=O)C(C)(C)C)c2cccs2)CCC1
InChIInChI=1S/C15H25NOS2/c1-5-15(9-7-10-15)13(12-8-6-11-18-12)16-19(17)14(2,3)4/h6,8,11,13,16H,5,7,9-10H2,1-4H3/t13-,19+/m0/s1
InChIKeyXBWLAHXABXGSDE-ORAYPTAESA-N
XLogP4.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(1R)-2-nitro-1-thiophen-2-ylethyl]propane-2-sulfinamide
CID 169115165
1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 116768795
1-(1-methoxycyclobutyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 116714360
N-[(2-methylthiolan-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 105100681
N,N-dimethyl-1-[1-(methylaminomethyl)cyclobutyl]-1-thiophen-2-ylmethanamine
CID 116912556
(1-pentylcyclobutyl)-thiophen-2-ylmethanamine
CID 70482574
N-[(S)-(6-chloro-2-pyridinyl)-(1-hydroxycyclohexyl)methyl]-2-methylpropane-2-sulfinamide
CID 121281010
N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]-3-methylfuran-2-carboxamide
CID 138036216
N-[(1-pyrrolidin-1-ylcyclopentyl)-thiophen-2-ylmethyl]ethanamine
CID 79058723
1-[hydrazinyl(thiophen-2-yl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 105242356
1-(1-ethylcyclopentyl)-3-thiophen-2-ylpropan-1-ol
CID 115800364
N-(2-tert-butylsulfinylethyl)-1-thiophen-2-ylethanamine
CID 115721127

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(R)-(1-ethylcyclobutyl)-thiophen-2-ylmethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(R)-(1-ethylcyclobutyl)-thiophen-2-ylmethyl]-2-methylpropane-2-sulfinamide (CID 162770303) is (R)-N-[(R)-(1-ethylcyclobutyl)-thiophen-2-ylmethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(R)-(1-ethylcyclobutyl)-thiophen-2-ylmethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(R)-(1-ethylcyclobutyl)-thiophen-2-ylmethyl]-2-methylpropane-2-sulfinamide is CCC1([C@@H](N[S@](=O)C(C)(C)C)c2cccs2)CCC1.
What is the InChIKey of (R)-N-[(R)-(1-ethylcyclobutyl)-thiophen-2-ylmethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is XBWLAHXABXGSDE-ORAYPTAESA-N. The full InChI is InChI=1S/C15H25NOS2/c1-5-15(9-7-10-15)13(12-8-6-11-18-12)16-19(17)14(2,3)4/h6,8,11,13,16H,5,7,9-10H2,1-4H3/t13-,19+/m0/s1.
What are the key properties of (R)-N-[(R)-(1-ethylcyclobutyl)-thiophen-2-ylmethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(R)-(1-ethylcyclobutyl)-thiophen-2-ylmethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 299.50 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(R)-(1-ethylcyclobutyl)-thiophen-2-ylmethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 162770303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).