2-cyclopropyl-N-[(5R)-9-(thiophen-3-ylmethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide

C19H28N2O2S — CID 97484288

IUPAC2-cyclopropyl-N-[(5R)-9-(thiophen-3-ylmethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide
SMILESO=C(CC1CC1)N[C@H]1COCCC12CCN(Cc1ccsc1)CC2
InChIInChI=1S/C19H28N2O2S/c22-18(11-15-1-2-15)20-17-13-23-9-6-19(17)4-7-21(8-5-19)12-16-3-10-24-14-16/h3,10,14-15,17H,1-2,4-9,11-13H2,(H,20,22)/t17-/m0/s1
InChIKeyICXLVGIEARGCLV-KRWDZBQOSA-N
MW348.51 g/mol
LogP3.04
Rot. Bonds5

About 2-cyclopropyl-N-[(5R)-9-(thiophen-3-ylmethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide

2-cyclopropyl-N-[(5R)-9-(thiophen-3-ylmethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide (PubChem CID 97484288) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(5R)-9-(thiophen-3-ylmethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(5R)-9-(thiophen-3-ylmethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide
PubChem CID97484288
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC Name2-cyclopropyl-N-[(5R)-9-(thiophen-3-ylmethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide
SMILESO=C(CC1CC1)N[C@H]1COCCC12CCN(Cc1ccsc1)CC2
InChIInChI=1S/C19H28N2O2S/c22-18(11-15-1-2-15)20-17-13-23-9-6-19(17)4-7-21(8-5-19)12-16-3-10-24-14-16/h3,10,14-15,17H,1-2,4-9,11-13H2,(H,20,22)/t17-/m0/s1
InChIKeyICXLVGIEARGCLV-KRWDZBQOSA-N
XLogP3.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide
CID 131659035
N-propan-2-yl-2-[8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide
CID 118742419
1-pyrrolidin-1-yl-2-[9-(thiophen-3-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]ethanone
CID 91919407
N-[(5S)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide
CID 97487342
N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 121057584
(2S)-3-phenyl-2-[[2-[1-(thiophen-3-ylmethyl)piperidin-4-yl]acetyl]amino]propanamide
CID 11531121
1-(cyclopropylmethyl)-9-(thiophen-3-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane;bis(2,2,2-trifluoroacetic acid)
CID 155835236
2-methoxy-N-[9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide
CID 131645168
N-[(5R)-9-(2-phenylethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]cyclopropanecarboxamide
CID 97483991
1-(1-methylcyclobutyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]urea
CID 91659891
2-[1-(thiophen-3-ylmethyl)piperidin-4-yl]ethanol
CID 121200335
1,1-dimethyl-3-[7-(thiophen-3-ylmethyl)-7-azaspiro[3.5]nonan-2-yl]urea
CID 98897633

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(5R)-9-(thiophen-3-ylmethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide?
The IUPAC name of 2-cyclopropyl-N-[(5R)-9-(thiophen-3-ylmethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide (CID 97484288) is 2-cyclopropyl-N-[(5R)-9-(thiophen-3-ylmethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide.
What is the SMILES notation for 2-cyclopropyl-N-[(5R)-9-(thiophen-3-ylmethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide?
The canonical SMILES for 2-cyclopropyl-N-[(5R)-9-(thiophen-3-ylmethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide is O=C(CC1CC1)N[C@H]1COCCC12CCN(Cc1ccsc1)CC2.
What is the InChIKey of 2-cyclopropyl-N-[(5R)-9-(thiophen-3-ylmethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide?
The InChIKey is ICXLVGIEARGCLV-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H28N2O2S/c22-18(11-15-1-2-15)20-17-13-23-9-6-19(17)4-7-21(8-5-19)12-16-3-10-24-14-16/h3,10,14-15,17H,1-2,4-9,11-13H2,(H,20,22)/t17-/m0/s1.
What are the key properties of 2-cyclopropyl-N-[(5R)-9-(thiophen-3-ylmethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide?
2-cyclopropyl-N-[(5R)-9-(thiophen-3-ylmethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide has a molecular weight of 348.51 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(5R)-9-(thiophen-3-ylmethyl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]acetamide is sourced from PubChem (CID 97484288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).