(5S)-N-cyclohexyl-9-(1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide

C17H27N5OS — CID 97484299

IUPAC(5S)-N-cyclohexyl-9-(1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESO=C(NC1CCCCC1)N1CC[C@@]2(CCCN(c3nncs3)C2)C1
InChIInChI=1S/C17H27N5OS/c23-15(19-14-5-2-1-3-6-14)21-10-8-17(11-21)7-4-9-22(12-17)16-20-18-13-24-16/h13-14H,1-12H2,(H,19,23)/t17-/m0/s1
InChIKeyPHTVPQPIPDCPDU-KRWDZBQOSA-N
MW349.50 g/mol
LogP2.87
Rot. Bonds2

About (5S)-N-cyclohexyl-9-(1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide

(5S)-N-cyclohexyl-9-(1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 97484299) has the molecular formula C17H27N5OS and a molecular weight of 349.50 g/mol. Its IUPAC name is (5S)-N-cyclohexyl-9-(1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(5S)-N-cyclohexyl-9-(1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide
PubChem CID97484299
Molecular FormulaC17H27N5OS
Molecular Weight349.50 g/mol
Exact Mass349.19
IUPAC Name(5S)-N-cyclohexyl-9-(1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESO=C(NC1CCCCC1)N1CC[C@@]2(CCCN(c3nncs3)C2)C1
InChIInChI=1S/C17H27N5OS/c23-15(19-14-5-2-1-3-6-14)21-10-8-17(11-21)7-4-9-22(12-17)16-20-18-13-24-16/h13-14H,1-12H2,(H,19,23)/t17-/m0/s1
InChIKeyPHTVPQPIPDCPDU-KRWDZBQOSA-N
XLogP2.87
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-N-cyclohexyl-9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 97483665
(2R,3R)-N-cyclobutyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 98778397
N-cyclopentyl-3-azaspiro[5.5]undecane-3-carboxamide
CID 115605548
2-[(5S)-2-(2-fluoroethyl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole
CID 97484270
(2S,3S)-N-cyclopropyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97493289
N-(cyclopropylmethyl)-9-(1,3,4-thiadiazol-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155824222
N-cyclopropyl-5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155827951
N-[2-oxo-2-[(6R)-11-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethyl]acetamide
CID 97398378
cyclobutyl-[8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone
CID 131650043
2,2-dimethyl-N-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]propanamide
CID 163352586
2-(1-bicyclo[2.2.1]heptanyl)-1-[6-(1,3,4-thiadiazol-2-yl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone
CID 167808720
9-methyl-N-[4-(1,3,4-thiadiazol-2-yl)phenyl]-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 128702904

Frequently Asked Questions

What is the IUPAC name of (5S)-N-cyclohexyl-9-(1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (5S)-N-cyclohexyl-9-(1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide (CID 97484299) is (5S)-N-cyclohexyl-9-(1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (5S)-N-cyclohexyl-9-(1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (5S)-N-cyclohexyl-9-(1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide is O=C(NC1CCCCC1)N1CC[C@@]2(CCCN(c3nncs3)C2)C1.
What is the InChIKey of (5S)-N-cyclohexyl-9-(1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is PHTVPQPIPDCPDU-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H27N5OS/c23-15(19-14-5-2-1-3-6-14)21-10-8-17(11-21)7-4-9-22(12-17)16-20-18-13-24-16/h13-14H,1-12H2,(H,19,23)/t17-/m0/s1.
What are the key properties of (5S)-N-cyclohexyl-9-(1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
(5S)-N-cyclohexyl-9-(1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 349.50 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-cyclohexyl-9-(1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 97484299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).