(3R)-3-[[(S)-tert-butylsulfinyl]amino]-3-cyclopropylbutanamide

C11H22N2O2S — CID 129389602

IUPAC(3R)-3-[[(S)-tert-butylsulfinyl]amino]-3-cyclopropylbutanamide
SMILESCC(C)(C)[S@](=O)N[C@](C)(CC(N)=O)C1CC1
InChIInChI=1S/C11H22N2O2S/c1-10(2,3)16(15)13-11(4,7-9(12)14)8-5-6-8/h8,13H,5-7H2,1-4H3,(H2,12,14)/t11-,16+/m1/s1
InChIKeyPQXRVXCQTACKLT-BZNIZROVSA-N
MW246.38 g/mol
LogP1.08
Rot. Bonds5

About (3R)-3-[[(S)-tert-butylsulfinyl]amino]-3-cyclopropylbutanamide

(3R)-3-[[(S)-tert-butylsulfinyl]amino]-3-cyclopropylbutanamide (PubChem CID 129389602) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is (3R)-3-[[(S)-tert-butylsulfinyl]amino]-3-cyclopropylbutanamide.

Molecular Properties

Compound Name(3R)-3-[[(S)-tert-butylsulfinyl]amino]-3-cyclopropylbutanamide
PubChem CID129389602
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name(3R)-3-[[(S)-tert-butylsulfinyl]amino]-3-cyclopropylbutanamide
SMILESCC(C)(C)[S@](=O)N[C@](C)(CC(N)=O)C1CC1
InChIInChI=1S/C11H22N2O2S/c1-10(2,3)16(15)13-11(4,7-9(12)14)8-5-6-8/h8,13H,5-7H2,1-4H3,(H2,12,14)/t11-,16+/m1/s1
InChIKeyPQXRVXCQTACKLT-BZNIZROVSA-N
XLogP1.08
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-3-methylbutanamide
CID 119056827
3-[(2-cyclopropyl-1-hydroxypropan-2-yl)amino]butanamide
CID 115927783
N-(1-amino-2-cyclopropylpropan-2-yl)acetamide
CID 81486890
N-(4-amino-2-cyclopropyl-4-oxobutan-2-yl)-5-cyclopropyl-4-(1-fluoropropan-2-yloxy)pyridine-2-carboxamide
CID 90204486
2-[(4-tert-butylcyclohexyl)amino]oxyacetamide
CID 112673239
3-cyclopropyl-3-(ethylamino)butanoic acid
CID 65234034
3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide
CID 106096315
3-(tert-butylsulfinylamino)propyl-cyclopropylcarbamic acid
CID 77304978
4-[(2-amino-2-cyclopropylpropanoyl)amino]butanamide
CID 60865576
3-(2-amino-2-oxoethyl)-3-methylpentanediamide
CID 86237649
N-[(2S)-4-amino-2-cyclopropyl-4-oxobutan-2-yl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 90205070
N-(4-amino-2-methyl-4-oxobutan-2-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 86789781

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[(S)-tert-butylsulfinyl]amino]-3-cyclopropylbutanamide?
The IUPAC name of (3R)-3-[[(S)-tert-butylsulfinyl]amino]-3-cyclopropylbutanamide (CID 129389602) is (3R)-3-[[(S)-tert-butylsulfinyl]amino]-3-cyclopropylbutanamide.
What is the SMILES notation for (3R)-3-[[(S)-tert-butylsulfinyl]amino]-3-cyclopropylbutanamide?
The canonical SMILES for (3R)-3-[[(S)-tert-butylsulfinyl]amino]-3-cyclopropylbutanamide is CC(C)(C)[S@](=O)N[C@](C)(CC(N)=O)C1CC1.
What is the InChIKey of (3R)-3-[[(S)-tert-butylsulfinyl]amino]-3-cyclopropylbutanamide?
The InChIKey is PQXRVXCQTACKLT-BZNIZROVSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-10(2,3)16(15)13-11(4,7-9(12)14)8-5-6-8/h8,13H,5-7H2,1-4H3,(H2,12,14)/t11-,16+/m1/s1.
What are the key properties of (3R)-3-[[(S)-tert-butylsulfinyl]amino]-3-cyclopropylbutanamide?
(3R)-3-[[(S)-tert-butylsulfinyl]amino]-3-cyclopropylbutanamide has a molecular weight of 246.38 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[(S)-tert-butylsulfinyl]amino]-3-cyclopropylbutanamide is sourced from PubChem (CID 129389602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).