(3S)-3-(methoxymethyl)-2-propan-2-yl-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane

C18H30N2OS — CID 97375004

IUPAC(3S)-3-(methoxymethyl)-2-propan-2-yl-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane
SMILESCOC[C@@H]1CC2(CCN(Cc3cccs3)CC2)CN1C(C)C
InChIInChI=1S/C18H30N2OS/c1-15(2)20-14-18(11-16(20)13-21-3)6-8-19(9-7-18)12-17-5-4-10-22-17/h4-5,10,15-16H,6-9,11-14H2,1-3H3/t16-/m0/s1
InChIKeyCSQOFXRGDJFVKP-INIZCTEOSA-N
MW322.52 g/mol
LogP3.46
Rot. Bonds5

About (3S)-3-(methoxymethyl)-2-propan-2-yl-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane

(3S)-3-(methoxymethyl)-2-propan-2-yl-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane (PubChem CID 97375004) has the molecular formula C18H30N2OS and a molecular weight of 322.52 g/mol. Its IUPAC name is (3S)-3-(methoxymethyl)-2-propan-2-yl-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(3S)-3-(methoxymethyl)-2-propan-2-yl-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane
PubChem CID97375004
Molecular FormulaC18H30N2OS
Molecular Weight322.52 g/mol
Exact Mass322.21
IUPAC Name(3S)-3-(methoxymethyl)-2-propan-2-yl-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane
SMILESCOC[C@@H]1CC2(CCN(Cc3cccs3)CC2)CN1C(C)C
InChIInChI=1S/C18H30N2OS/c1-15(2)20-14-18(11-16(20)13-21-3)6-8-19(9-7-18)12-17-5-4-10-22-17/h4-5,10,15-16H,6-9,11-14H2,1-3H3/t16-/m0/s1
InChIKeyCSQOFXRGDJFVKP-INIZCTEOSA-N
XLogP3.46
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.52
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(methoxymethyl)-8-[(5-methylthiophen-2-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 97375014
8-(furan-2-ylmethyl)-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 118746867
3,9-bis(thiophen-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370579
(3R)-8-(cyclopropylmethyl)-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 97375029
3-(methoxymethyl)-8-[(2-methoxy-3-pyridinyl)methyl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 171696000
(3R)-3-propan-2-yl-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97371261
1-methyl-4-propan-2-yl-9-(thiophen-2-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495694
(5S,9S)-9-(methoxymethyl)-7-methyl-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonane
CID 124820197
(4R)-2-methyl-4-phenyl-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97139547
(3R)-2-propyl-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95883084
4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 131660669
[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-oxazol-4-yl)methanone
CID 131655457

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(methoxymethyl)-2-propan-2-yl-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of (3S)-3-(methoxymethyl)-2-propan-2-yl-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane (CID 97375004) is (3S)-3-(methoxymethyl)-2-propan-2-yl-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for (3S)-3-(methoxymethyl)-2-propan-2-yl-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for (3S)-3-(methoxymethyl)-2-propan-2-yl-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane is COC[C@@H]1CC2(CCN(Cc3cccs3)CC2)CN1C(C)C.
What is the InChIKey of (3S)-3-(methoxymethyl)-2-propan-2-yl-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is CSQOFXRGDJFVKP-INIZCTEOSA-N. The full InChI is InChI=1S/C18H30N2OS/c1-15(2)20-14-18(11-16(20)13-21-3)6-8-19(9-7-18)12-17-5-4-10-22-17/h4-5,10,15-16H,6-9,11-14H2,1-3H3/t16-/m0/s1.
What are the key properties of (3S)-3-(methoxymethyl)-2-propan-2-yl-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane?
(3S)-3-(methoxymethyl)-2-propan-2-yl-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 322.52 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(methoxymethyl)-2-propan-2-yl-8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97375004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).