(2S)-N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-propan-2-ylsulfonylpropanamide

C17H31NO4S — CID 100577324

IUPAC(2S)-N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-propan-2-ylsulfonylpropanamide
SMILESCCO[C@@H]1C[C@H](NC(=O)[C@H](C)S(=O)(=O)C(C)C)C12CCCCC2
InChIInChI=1S/C17H31NO4S/c1-5-22-15-11-14(17(15)9-7-6-8-10-17)18-16(19)13(4)23(20,21)12(2)3/h12-15H,5-11H2,1-4H3,(H,18,19)/t13-,14-,15+/m0/s1
InChIKeyRBLQNTRECCRFIB-SOUVJXGZSA-N
MW345.51 g/mol
LogP2.44
Rot. Bonds6

About (2S)-N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-propan-2-ylsulfonylpropanamide

(2S)-N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-propan-2-ylsulfonylpropanamide (PubChem CID 100577324) has the molecular formula C17H31NO4S and a molecular weight of 345.51 g/mol. Its IUPAC name is (2S)-N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-propan-2-ylsulfonylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-propan-2-ylsulfonylpropanamide
PubChem CID100577324
Molecular FormulaC17H31NO4S
Molecular Weight345.51 g/mol
Exact Mass345.20
IUPAC Name(2S)-N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-propan-2-ylsulfonylpropanamide
SMILESCCO[C@@H]1C[C@H](NC(=O)[C@H](C)S(=O)(=O)C(C)C)C12CCCCC2
InChIInChI=1S/C17H31NO4S/c1-5-22-15-11-14(17(15)9-7-6-8-10-17)18-16(19)13(4)23(20,21)12(2)3/h12-15H,5-11H2,1-4H3,(H,18,19)/t13-,14-,15+/m0/s1
InChIKeyRBLQNTRECCRFIB-SOUVJXGZSA-N
XLogP2.44
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide
CID 119335880
N-(3-ethoxyspiro[3.4]octan-1-yl)-2-methyl-3-(methylamino)propanamide
CID 119794749
N-(3-ethoxyspiro[3.5]nonan-1-yl)acetamide
CID 86769478
2-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-methylpentanamide
CID 119803509
(2R)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-(1,2,4-triazol-1-yl)propanamide
CID 95972185
(2R)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-imidazol-1-ylpropanamide
CID 96570090
N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-(1-hydroxycyclopentyl)acetamide
CID 111540303
2-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)pentanamide;hydrochloride
CID 119334950
(2R)-N-[(1R,3R)-3-ethoxyspiro[3.4]octan-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 129378090
N-(3-ethoxyspiro[3.4]octan-1-yl)-2-(methylamino)acetamide
CID 119794737
1-(carbamoylamino)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]cyclopropane-1-carboxamide
CID 124590561
2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-methylbutanamide
CID 106344164

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-propan-2-ylsulfonylpropanamide?
The IUPAC name of (2S)-N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-propan-2-ylsulfonylpropanamide (CID 100577324) is (2S)-N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-propan-2-ylsulfonylpropanamide.
What is the SMILES notation for (2S)-N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-propan-2-ylsulfonylpropanamide?
The canonical SMILES for (2S)-N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-propan-2-ylsulfonylpropanamide is CCO[C@@H]1C[C@H](NC(=O)[C@H](C)S(=O)(=O)C(C)C)C12CCCCC2.
What is the InChIKey of (2S)-N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-propan-2-ylsulfonylpropanamide?
The InChIKey is RBLQNTRECCRFIB-SOUVJXGZSA-N. The full InChI is InChI=1S/C17H31NO4S/c1-5-22-15-11-14(17(15)9-7-6-8-10-17)18-16(19)13(4)23(20,21)12(2)3/h12-15H,5-11H2,1-4H3,(H,18,19)/t13-,14-,15+/m0/s1.
What are the key properties of (2S)-N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-propan-2-ylsulfonylpropanamide?
(2S)-N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-propan-2-ylsulfonylpropanamide has a molecular weight of 345.51 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-propan-2-ylsulfonylpropanamide is sourced from PubChem (CID 100577324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).