(3S)-2-methyl-N-phenyl-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide

C21H27N3OS — CID 164634409

IUPAC(3S)-2-methyl-N-phenyl-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCN1CC2(CCN(Cc3cccs3)CC2)C[C@H]1C(=O)Nc1ccccc1
InChIInChI=1S/C21H27N3OS/c1-23-16-21(9-11-24(12-10-21)15-18-8-5-13-26-18)14-19(23)20(25)22-17-6-3-2-4-7-17/h2-8,13,19H,9-12,14-16H2,1H3,(H,22,25)/t19-/m0/s1
InChIKeyXOTBUANFSYJOSA-IBGZPJMESA-N
MW369.53 g/mol
LogP3.67
Rot. Bonds4

About (3S)-2-methyl-N-phenyl-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide

(3S)-2-methyl-N-phenyl-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 164634409) has the molecular formula C21H27N3OS and a molecular weight of 369.53 g/mol. Its IUPAC name is (3S)-2-methyl-N-phenyl-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3S)-2-methyl-N-phenyl-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID164634409
Molecular FormulaC21H27N3OS
Molecular Weight369.53 g/mol
Exact Mass369.19
IUPAC Name(3S)-2-methyl-N-phenyl-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCN1CC2(CCN(Cc3cccs3)CC2)C[C@H]1C(=O)Nc1ccccc1
InChIInChI=1S/C21H27N3OS/c1-23-16-21(9-11-24(12-10-21)15-18-8-5-13-26-18)14-19(23)20(25)22-17-6-3-2-4-7-17/h2-8,13,19H,9-12,14-16H2,1H3,(H,22,25)/t19-/m0/s1
InChIKeyXOTBUANFSYJOSA-IBGZPJMESA-N
XLogP3.67
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-2-propyl-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95883084
(4R)-2-methyl-4-phenyl-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97139547
N-phenyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185519
3,9-bis(thiophen-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370579
(2R)-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 8720809
(3R)-8-[(2-carboxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95724104
N-(2-phenylethyl)-6-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126464637
[4-methyl-1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol
CID 104695288
3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 43397030
N-phenyl-6-(thiophen-2-ylmethyl)-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepine-2-carboxamide
CID 134807442
2-methyl-1-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155841350
(1S)-2-methyl-1-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 97415569

Frequently Asked Questions

What is the IUPAC name of (3S)-2-methyl-N-phenyl-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3S)-2-methyl-N-phenyl-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 164634409) is (3S)-2-methyl-N-phenyl-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3S)-2-methyl-N-phenyl-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3S)-2-methyl-N-phenyl-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide is CN1CC2(CCN(Cc3cccs3)CC2)C[C@H]1C(=O)Nc1ccccc1.
What is the InChIKey of (3S)-2-methyl-N-phenyl-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is XOTBUANFSYJOSA-IBGZPJMESA-N. The full InChI is InChI=1S/C21H27N3OS/c1-23-16-21(9-11-24(12-10-21)15-18-8-5-13-26-18)14-19(23)20(25)22-17-6-3-2-4-7-17/h2-8,13,19H,9-12,14-16H2,1H3,(H,22,25)/t19-/m0/s1.
What are the key properties of (3S)-2-methyl-N-phenyl-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide?
(3S)-2-methyl-N-phenyl-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 369.53 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-methyl-N-phenyl-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 164634409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).